N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide

C23H21FN4O3S2 — CID 156754463

About N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide

N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 156754463) has the molecular formula C23H21FN4O3S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
• PubChem CID: 156754463
• Molecular Formula: C23H21FN4O3S2
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.10
• IUPAC Name: N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
• SMILES: N#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)sc2c1CCN(Cc1ccc(F)cc1)C2
• InChI: InChI=1S/C23H21FN4O3S2/c24-17-5-1-16(2-6-17)13-28-10-9-19-20(12-25)23(32-21(19)14-28)27-22(29)11-15-3-7-18(8-4-15)33(26,30)31/h1-8H,9-11,13-14H2,(H,27,29)(H2,26,30,31)
• InChIKey: RKWIMJJJTNCOMI-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 116.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?

The IUPAC name of N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide (CID 156754463) is N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide.

What is the SMILES notation for N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?

The canonical SMILES for N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide is N#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)sc2c1CCN(Cc1ccc(F)cc1)C2.

What is the InChIKey of N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?

The InChIKey is RKWIMJJJTNCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S2/c24-17-5-1-16(2-6-17)13-28-10-9-19-20(12-25)23(32-21(19)14-28)27-22(29)11-15-3-7-18(8-4-15)33(26,30)31/h1-8H,9-11,13-14H2,(H,27,29)(H2,26,30,31).

What are the key properties of N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?

N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 156754463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).