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Screening compounds

Nitd-688

Also known as Benzeneacetamide, 4-(aminosulfonyl)-N-(3-cyano-5-(cyclohexylmethyl)-4,5,6,7-tetrahydro-6,6-dimethylthieno(3,2-C)pyridin-2-yl)-, N-(3-Cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-2-(4-sulfamoylphenyl)acetamide, N-[3-Cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide

CAS 2407227-31-8Formula C25H32N4O3S2Molar mass 500.69 g/mol
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Nitd-688 chemical structure, C25H32N4O3S2, CAS 2407227-31-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2407227-31-8
Formula
C25H32N4O3S2
Molar mass
500.69 g/mol
HS code
293590
Category
Screening compounds

What is Nitd-688?

Plain description, key identifiers and synonyms

Nitd-688 is a chemical substance with the molecular formula C25H32N4O3S2 and a molar mass of 500.69 g/mol. Its CAS registry number is 2407227-31-8. The IUPAC name is N-[3-cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[3-cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
CAS number
2407227-31-8
Molecular formula
C25H32N4O3S2
UNII
M8MU6T45GY
MDL number
MFCD34676754
InChIKey
CIWCVIPQAHRJNY-UHFFFAOYSA-N
InChI
InChI=1S/C25H32N4O3S2/c1-25(2)13-22-21(16-29(25)15-18-6-4-3-5-7-18)20(14-26)24(33-22)28-23(30)12-17-8-10-19(11-9-17)34(27,31)32/h8-11,18H,3-7,12-13,15-16H2,1-2H3,(H,28,30)(H2,27,31,32)
SMILES (canonical and isomeric)
CC1(CC2=C(CN1CC3CCCCC3)C(=C(S2)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)N)C#N)C

Synonyms

  • Benzeneacetamide, 4-(aminosulfonyl)-N-(3-cyano-5-(cyclohexylmethyl)-4,5,6,7-tetrahydro-6,6-dimethylthieno(3,2-C)pyridin-2-yl)-
  • N-(3-Cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-2-(4-sulfamoylphenyl)acetamide
  • N-[3-Cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
  • N-[3-cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
  • N-[3-cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
500.69 g/molcalc.
Exact mass
500.1916 Dacalc.
LogP (octanol/water)
4.17calc.
Topological polar surface area
116.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Cc1ccccc1)Nc1cc2c(s1)CCN(CC1CCCCC1)C2

O=C(Cc1ccccc1)Nc1cc2c(s1)CCN(CC1CCCCC1)C2

4 rings, 26 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Nitd-688 suppliers

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Nitd-688 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nitd-688 is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Nitd-688 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitd-688, based on the data on this page

What is Nitd-688?

Nitd-688 is a chemical substance with the molecular formula C25H32N4O3S2 and a molar mass of 500.69 g/mol. Its CAS registry number is 2407227-31-8. The IUPAC name is N-[3-cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide.

What is the CAS number of Nitd-688?

The CAS registry number of Nitd-688 is 2407227-31-8.

What is the molecular formula and weight of Nitd-688?

The molecular formula of Nitd-688 is C25H32N4O3S2 and its molar mass is 500.69 g/mol.

What is Nitd-688 used for?

Known uses and roles of Nitd-688 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nitd-688 hazardous?

No GHS hazard classification for Nitd-688 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nitd-688?

Nitd-688 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitd-688?

Post a free request on CompoundList and suppliers of Nitd-688 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Nitd-688?

Suppliers quote Nitd-688 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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