6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C32H39N5O5S2 — CID 3561060

About 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3561060) has the molecular formula C32H39N5O5S2 and a molecular weight of 637.83 g/mol. Its IUPAC name is 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 3561060
• Molecular Formula: C32H39N5O5S2
• Molecular Weight: 637.83 g/mol
• Exact Mass: 637.24
• IUPAC Name: 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C32H39N5O5S2/c1-35(2)32(40)34-30(39)28-26-18-19-37(20-22-10-6-4-7-11-22)21-27(26)43-31(28)33-29(38)23-14-16-25(17-15-23)44(41,42)36(3)24-12-8-5-9-13-24/h4,6-7,10-11,14-17,24H,5,8-9,12-13,18-21H2,1-3H3,(H,33,38)(H,34,39,40)
• InChIKey: IOGMUNIFVGGSSI-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 119.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.83
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3561060) is 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2.

What is the InChIKey of 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is IOGMUNIFVGGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O5S2/c1-35(2)32(40)34-30(39)28-26-18-19-37(20-22-10-6-4-7-11-22)21-27(26)43-31(28)33-29(38)23-14-16-25(17-15-23)44(41,42)36(3)24-12-8-5-9-13-24/h4,6-7,10-11,14-17,24H,5,8-9,12-13,18-21H2,1-3H3,(H,33,38)(H,34,39,40).

What are the key properties of 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 637.83 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3561060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).