Murcko scaffold
Ring system with 3 rings and 20 atoms
20 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 20
- Chemicals
- 20
- With full pages
- 3
Scaffold SMILES
O=C(NCNc1cc2c(s1)CCCC2)c1ccccc1
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 20 of 20 chemicals
![Ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate chemical structure, C21H21F4N3O4S, CAS 309730-86-7](/s/MMTCYLHPOYKDDL-UHFFFAOYSA-N.svg)
Ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
CAS 309730-86-7C21H21F4N3O4S
![2-[[2-[(3-Chlorobenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C19H16ClF6N3O2S, CAS 309731-52-0](/s/YTLILPFXMGWRJP-UHFFFAOYSA-N.svg)
2-[[2-[(3-Chlorobenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 309731-52-0C19H16ClF6N3O2S
![2-[[1,1,1,3,3,3-Hexafluoro-2-[(2-fluorobenzoyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C19H16F7N3O2S, CAS 352317-01-2](/s/OXIFEYAHAHIJSD-UHFFFAOYSA-N.svg)
2-[[1,1,1,3,3,3-Hexafluoro-2-[(2-fluorobenzoyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 352317-01-2C19H16F7N3O2S
![2-[[2-[(2-Ethoxybenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C21H21F6N3O3S, CAS 352317-02-3](/s/JPELPWFXSAYCTI-UHFFFAOYSA-N.svg)
2-[[2-[(2-Ethoxybenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 352317-02-3C21H21F6N3O3S
![N-[2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-fluorobenzamide chemical structure, C19H14F7N3OS, CAS 352317-07-8](/s/QJCJEIZSMGYXEJ-UHFFFAOYSA-N.svg)
N-[2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-fluorobenzamide
CAS 352317-07-8C19H14F7N3OS
![4-Chloro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide chemical structure, C18H15Cl4N3OS, CAS 301359-04-6](/s/JLZYJLUFEZDCHL-UHFFFAOYSA-N.svg)
4-Chloro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
CAS 301359-04-6C18H15Cl4N3OS
![Methyl 2-[(1-benzamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H19Cl3N2O3S, CAS 302822-20-4](/s/GLVHNXZFTRSSRD-UHFFFAOYSA-N.svg)
Methyl 2-[(1-benzamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 302822-20-4C19H19Cl3N2O3S
![Methyl 2-[[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H21Cl3N2O3S, CAS 301195-92-6](/s/XCDYQDAYVWJNEZ-UHFFFAOYSA-N.svg)
Methyl 2-[[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 301195-92-6C20H21Cl3N2O3S
![Ethyl 2-((1-benzamido-2,2,2-trichloroethyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C20H21Cl3N2O3S, CAS 302821-23-4](/s/AUQNGRNYKVJGKO-UHFFFAOYSA-N.svg)
Ethyl 2-((1-benzamido-2,2,2-trichloroethyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 302821-23-4C20H21Cl3N2O3S
![Ethyl 2-({1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H20BrCl3N2O3S, CAS 302823-80-9](/s/WHJYNQOBAUFZSR-UHFFFAOYSA-N.svg)
Ethyl 2-({1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 302823-80-9C20H20BrCl3N2O3S
![Ethyl 2-({1-[(2-bromobenzoyl)amino]-2,2,2-trichloroethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H20BrCl3N2O3S, CAS 611185-58-1](/s/DUCNUQLYFVREBL-UHFFFAOYSA-N.svg)
Ethyl 2-({1-[(2-bromobenzoyl)amino]-2,2,2-trichloroethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 611185-58-1C20H20BrCl3N2O3S
![Methyl 2-[(4-chlorobenzoyl)amino]-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate chemical structure, C20H17ClF3N3O3S, CAS 352317-69-2](/s/NZUYQFLYUAMMEW-UHFFFAOYSA-N.svg)
Methyl 2-[(4-chlorobenzoyl)amino]-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate
CAS 352317-69-2C20H17ClF3N3O3S
![Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate chemical structure, C21H21ClF3N3O4S, CAS 298683-75-7](/s/DLGCMAGPCUVFDJ-UHFFFAOYSA-N.svg)
Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
CAS 298683-75-7C21H21ClF3N3O4S
![Methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate chemical structure, C20H19ClF3N3O4S, CAS 352317-71-6](/s/SKDKIYCWIKLJPC-UHFFFAOYSA-N.svg)
Methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
CAS 352317-71-6C20H19ClF3N3O4S
![Methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate chemical structure, C20H18Cl2F3N3O4S, CAS 352317-50-1](/s/OBSUEAGHBDPXAB-UHFFFAOYSA-N.svg)
Methyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
CAS 352317-50-1C20H18Cl2F3N3O4S
![Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate chemical structure, C21H21F4N3O4S, CAS 298683-76-8](/s/RZDNTELPPNZTJP-UHFFFAOYSA-N.svg)
Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
CAS 298683-76-8C21H21F4N3O4S
![Methyl 2-[[3-ethoxy-1,1,1-trifluoro-2-[(4-methoxybenzoyl)amino]-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C23H25F3N2O6S, CAS 298683-67-7](/s/QPVJPDKBYUAGKG-UHFFFAOYSA-N.svg)
Methyl 2-[[3-ethoxy-1,1,1-trifluoro-2-[(4-methoxybenzoyl)amino]-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 298683-67-7C23H25F3N2O6S
![Methyl 2-(2-chlorobenzamido)-2-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate chemical structure, C21H19ClF3N3O3S, CAS 447409-84-9](/s/QLEHHCFJOHOHIC-UHFFFAOYSA-N.svg)
Methyl 2-(2-chlorobenzamido)-2-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate
CAS 447409-84-9C21H19ClF3N3O3S
![Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate chemical structure, C21H21F4N3O4S, CAS 298683-77-9](/s/RCGJLOVWKYWIAM-UHFFFAOYSA-N.svg)
Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate
CAS 298683-77-9C21H21F4N3O4S
Methyl 2-((1-((2-bromobenzoyl)amino)-2,2,2-trichloroethyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 611185-59-2C19H18BrCl3N2O3S
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