4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C19H17F3N4O4S2 — CID 167832527

About 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 167832527) has the molecular formula C19H17F3N4O4S2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 167832527
• Molecular Formula: C19H17F3N4O4S2
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.06
• IUPAC Name: 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: CC(=O)N1CCc2c(sc(NS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)c2C#N)C1
• InChI: InChI=1S/C19H17F3N4O4S2/c1-11(27)26-7-6-14-15(8-23)18(31-16(14)9-26)25-32(29,30)13-4-2-12(3-5-13)17(28)24-10-19(20,21)22/h2-5,25H,6-7,9-10H2,1H3,(H,24,28)
• InChIKey: WUHIWYQNCXAROA-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 119.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 167832527) is 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is CC(=O)N1CCc2c(sc(NS(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)c2C#N)C1.

What is the InChIKey of 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is WUHIWYQNCXAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4S2/c1-11(27)26-7-6-14-15(8-23)18(31-16(14)9-26)25-32(29,30)13-4-2-12(3-5-13)17(28)24-10-19(20,21)22/h2-5,25H,6-7,9-10H2,1H3,(H,24,28).

What are the key properties of 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?

4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 486.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 167832527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).