Murcko scaffold
Ring system with 3 rings and 20 atoms
114 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 20
- Chemicals
- 114
- With full pages
- 5
Scaffold SMILES
O=C(C=Cc1ccccc1)Nc1cc2c(s1)CCCC2
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 48 of 114 chemicals
![Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C19H19NO3S, CAS 725745-99-3](/s/ONJSEDIWRNOIFQ-VAWYXSNFSA-N.svg)
Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 725745-99-3C19H19NO3S
![2-Cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C18H18N2O2S, CAS 298193-33-6](/s/RJQQPJXOPSFATK-ZHACJKMWSA-N.svg)
2-Cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 298193-33-6C18H18N2O2S
![N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-phenyl-acrylamide chemical structure, C18H16N2OS, CAS 298193-31-4](/s/QOPVYSMMZFNIDS-ZHACJKMWSA-N.svg)
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-3-phenyl-acrylamide
CAS 298193-31-4C18H16N2OS
![2-{[3-(2-Chlorophenyl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C18H17ClN2O2S, CAS 5852-28-8](/s/GEZMSMFYKKUULK-MDZDMXLPSA-N.svg)
2-{[3-(2-Chlorophenyl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 5852-28-8C18H17ClN2O2S
![Ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate chemical structure, C22H25NO5S, CAS 5655-32-3](/s/CFMJPXFRBOLLES-ZRDIBKRKSA-N.svg)
Ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS 5655-32-3C22H25NO5S
![(E)-2-(3-(3,4-Dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid chemical structure, C20H21NO5S, CAS 112282-18-5](/s/BSIRTWIPKKFSKD-CSKARUKUSA-N.svg)
(E)-2-(3-(3,4-Dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
CAS 112282-18-5C20H21NO5S
![(E)-Ethyl 2-(3-(4-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C20H20FNO3S, CAS 325850-71-3](/s/WGDOFIPCKMMNFF-FMIVXFBMSA-N.svg)
(E)-Ethyl 2-(3-(4-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 325850-71-3C20H20FNO3S
![Ethyl 2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C21H23NO4S, CAS 299955-46-7](/s/JZBGKDALHPXLPX-JLHYYAGUSA-N.svg)
Ethyl 2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 299955-46-7C21H23NO4S
![(E)-Ethyl 2-(3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C20H20N2O5S, CAS 299953-31-4](/s/PXEJACBZVFSAIB-ZHACJKMWSA-N.svg)
(E)-Ethyl 2-(3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 299953-31-4C20H20N2O5S
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-oxo-3-phenyl-2-propenyl)amino)-,ethyl ester
CAS 76981-77-6C20H21NO3S
![(E)-Methyl 2-(3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C19H18N2O5S, CAS 314282-58-1](/s/SOXJMOUHQVCMFR-MDZDMXLPSA-N.svg)
(E)-Methyl 2-(3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 314282-58-1C19H18N2O5S
![(E)-2-(3-(3,4-Dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C20H22N2O4S, CAS 290839-60-0](/s/JYCSUZZTVRYVRO-CSKARUKUSA-N.svg)
(E)-2-(3-(3,4-Dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 290839-60-0C20H22N2O4S
![(E)-2-(3-(2-Methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C19H20N2O3S, CAS 651009-35-7](/s/QCZDCFOAZZNKTL-ZHACJKMWSA-N.svg)
(E)-2-(3-(2-Methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 651009-35-7C19H20N2O3S
![(E)-Methyl 2-(3-(2-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C20H21NO4S, CAS 651009-32-4](/s/NNROUQKYDPMXSU-VAWYXSNFSA-N.svg)
(E)-Methyl 2-(3-(2-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 651009-32-4C20H21NO4S
![(E)-2-(2-Cyano-3-(4-hydroxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C19H17N3O3S, CAS 327061-86-9](/s/FKYAMPRFDCKJCH-FMIVXFBMSA-N.svg)
(E)-2-(2-Cyano-3-(4-hydroxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 327061-86-9C19H17N3O3S
2-(((2E)-2-Cyano-3-(4-methoxyphenyl)-2-propenoyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 292057-56-8C20H19N3O3S
![Ethyl 2-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C23H27NO6S, CAS 467248-01-7](/s/IJZGQZDLLGZWDT-ZHACJKMWSA-N.svg)
Ethyl 2-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 467248-01-7C23H27NO6S
![2-[[(E)-3-(4-Chloro-3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C18H16ClN3O4S, CAS 433947-77-4](/s/CDJPTINILZTWBV-SOFGYWHQSA-N.svg)
2-[[(E)-3-(4-Chloro-3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 433947-77-4C18H16ClN3O4S
![N-Methyl-2-{[(2E)-3-(4-methylphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C20H22N2O2S, CAS 312936-50-8](/s/IOGKMHBBWMOETO-VAWYXSNFSA-N.svg)
N-Methyl-2-{[(2E)-3-(4-methylphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 312936-50-8C20H22N2O2S
![2-{[(2E)-3-(2,6-Dichlorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C18H16Cl2N2O2S, CAS 5693-03-8](/s/SRPPFMLRSFHEDP-CMDGGOBGSA-N.svg)
2-{[(2E)-3-(2,6-Dichlorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 5693-03-8C18H16Cl2N2O2S
![(E)-Ethyl 2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C21H19FN2O3S, CAS 327062-96-4](/s/WKOPKNYOGFYOSU-SDNWHVSQSA-N.svg)
(E)-Ethyl 2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 327062-96-4C21H19FN2O3S
![(Z)-2-(3-(2-Chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C19H16ClN3O2S, CAS 300813-39-2](/s/PQLOINZKDRDOLA-XFXZXTDPSA-N.svg)
(Z)-2-(3-(2-Chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 300813-39-2C19H16ClN3O2S
![(Z)-2-(3-(4-Chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C19H16ClN3O2S, CAS 300812-76-4](/s/CMWHAFOXMZVBKL-XFXZXTDPSA-N.svg)
(Z)-2-(3-(4-Chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 300812-76-4C19H16ClN3O2S
![(E)-2-(2-Cyano-3-(2-isopropoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C22H23N3O3S, CAS 465513-53-5](/s/WRUNVIHBFKQMCK-RVDMUPIBSA-N.svg)
(E)-2-(2-Cyano-3-(2-isopropoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 465513-53-5C22H23N3O3S
- (E)-2-(2-Cyano-3-(4-isopropoxy-3-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide379731-01-8C23H25N3O4S
- Methyl 2-[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate380423-80-3C21H19BrN2O4S
- (E)-Methyl 2-(2-cyano-3-(4-isopropoxy-3-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate380551-66-6C24H26N2O5S
- (E)-Methyl 2-(2-cyano-3-(2-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate638144-01-1C20H17FN2O3S
- (E)-Methyl 2-(2-cyano-3-(4-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate638144-03-3C20H17FN2O3S
- (E)-Isopropyl 2-(2-cyano-3-(4-fluorophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate499209-78-8C22H21FN2O3S
- (E)-Ethyl 2-(2-cyano-3-(4-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate305375-03-5C21H19N3O5S
- (E)-Ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate305375-06-8C21H19N3O5S
- Methyl 2-[3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate380424-56-6C20H17BrN2O4S
- 2((2-Cyano-3-PH-acryloyl)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide302552-86-9C19H17N3O2S
- Ethyl2-{[3-(2,4-dichlorophenyl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate312936-66-6C20H19Cl2NO3S
- (E)-Methyl 2-(2-cyano-3-(2-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate464907-03-7C21H20N2O4S
- (Z)-Ethyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate300812-75-3C21H19ClN2O3S
- (Z)-Ethyl 2-(2-cyano-3-phenylacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate1321779-30-9C21H20N2O3S
- (Z)-Ethyl 2-(2-cyano-3-(4-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate325742-02-7C22H22N2O4S
- Propyl 2-[(3-{4-nitrophenyl}acryloyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate550306-47-3C21H22N2O5S
- 2-[[(E)-2-Cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide380434-24-2C25H29N3O4S
- (E)-2-(2-Cyano-3-(4-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide300675-11-0C19H16N4O4S
- (E)-Methyl 2-(2-cyano-3-(4-(diethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate379714-54-2C24H27N3O3S
- (Z)-Ethyl 2-(3-(2-chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate1321772-30-8C21H19ClN2O3S
- Methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate380424-55-5C26H30N2O5S
- (E)-Methyl 2-(3-(4-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate488814-08-0C20H21NO4S
- 2-[4-(2-Cyano-2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}eth-1-en-1-yl)phenoxy]acetic acid745808-43-9C23H22N2O6S
- 2-[4-[(E)-2-Cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acidC23H22N2O6S
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1](/scaffold/WVWIDWYWASPVGN-UHFFFAOYSA-N/structure.svg)
O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc149 chemicals![Scaffold c1ccc(OCCSc2nc3ccccc3[nH]2)cc1](/scaffold/UEYUFQWEHMSHIX-UHFFFAOYSA-N/structure.svg)
c1ccc(OCCSc2nc3ccccc3[nH]2)cc136 chemicals![Scaffold O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1](/scaffold/YRGGTYXDASSWSH-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1nc2ccccc2[nH]1)c1ccccc124 chemicals
O=C(COc1ccccc1)Nc1nc2ccccc2s122 chemicals
O=C(COc1ccccc1)Nc1cc2c(s1)CCCC220 chemicals
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc119 chemicals
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc118 chemicals
O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s117 chemicals
O=C(CSc1nc2ccccc2s1)Nc1ccccc114 chemicals![Scaffold O=C(NN=Cc1ccccc1)c1cc2ccccc2[nH]1](/scaffold/SYUQFFCOGGAGKC-UHFFFAOYSA-N/structure.svg)
O=C(NN=Cc1ccccc1)c1cc2ccccc2[nH]113 chemicals
O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc111 chemicals
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc111 chemicals