2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C25H36N4O4S2 — CID 43951517

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

2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951517) has the molecular formula C25H36N4O4S2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 43951517
• Molecular Formula: C25H36N4O4S2
• Molecular Weight: 520.72 g/mol
• Exact Mass: 520.22
• IUPAC Name: 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CCN(C(C)C)C3)cc1
• InChI: InChI=1S/C25H36N4O4S2/c1-7-8-14-28(6)35(32,33)19-11-9-18(10-12-19)23(30)26-24-22(25(31)27(4)5)20-13-15-29(17(2)3)16-21(20)34-24/h9-12,17H,7-8,13-16H2,1-6H3,(H,26,30)
• InChIKey: MKNSWIIJDGUVFE-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.72
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951517) is 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CCN(C(C)C)C3)cc1.

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

The InChIKey is MKNSWIIJDGUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4S2/c1-7-8-14-28(6)35(32,33)19-11-9-18(10-12-19)23(30)26-24-22(25(31)27(4)5)20-13-15-29(17(2)3)16-21(20)34-24/h9-12,17H,7-8,13-16H2,1-6H3,(H,26,30).

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

2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 520.72 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).