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

C26H36N4O4S2 — CID 4122886

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

2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4122886) has the molecular formula C26H36N4O4S2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 4122886
• Molecular Formula: C26H36N4O4S2
• Molecular Weight: 532.73 g/mol
• Exact Mass: 532.22
• IUPAC Name: 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c2C(=O)NC)C1
• InChI: InChI=1S/C26H36N4O4S2/c1-4-15-30-16-14-21-22(17-30)35-26(23(21)25(32)27-2)28-24(31)18-10-12-20(13-11-18)36(33,34)29(3)19-8-6-5-7-9-19/h10-13,19H,4-9,14-17H2,1-3H3,(H,27,32)(H,28,31)
• InChIKey: ZIHRKQCKLCMATE-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.73
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4122886) is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c2C(=O)NC)C1.

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

The InChIKey is ZIHRKQCKLCMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S2/c1-4-15-30-16-14-21-22(17-30)35-26(23(21)25(32)27-2)28-24(31)18-10-12-20(13-11-18)36(33,34)29(3)19-8-6-5-7-9-19/h10-13,19H,4-9,14-17H2,1-3H3,(H,27,32)(H,28,31).

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

2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 532.73 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4122886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).