2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C25H36N4O4S2 — CID 43951377

About 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951377) has the molecular formula C25H36N4O4S2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 43951377
• Molecular Formula: C25H36N4O4S2
• Molecular Weight: 520.72 g/mol
• Exact Mass: 520.22
• IUPAC Name: 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCCN(CCC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCN(CC)C2
• InChI: InChI=1S/C25H36N4O4S2/c1-6-14-29(15-7-2)25(31)22-20-13-16-28(8-3)17-21(20)34-24(22)26-23(30)18-9-11-19(12-10-18)35(32,33)27(4)5/h9-12H,6-8,13-17H2,1-5H3,(H,26,30)
• InChIKey: WQGUAEHPKKVSHH-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• 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-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951377) is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN(CCC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCN(CC)C2.

What is the InChIKey of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

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

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

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 520.72 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).