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

C23H31N5O5S2 — CID 3281786

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

2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3281786) has the molecular formula C23H31N5O5S2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 3281786
• Molecular Formula: C23H31N5O5S2
• Molecular Weight: 521.67 g/mol
• Exact Mass: 521.18
• IUPAC Name: 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(=O)NC(=O)NC)C1
• InChI: InChI=1S/C23H31N5O5S2/c1-5-27-13-12-17-18(14-27)34-22(19(17)21(30)26-23(31)24-4)25-20(29)15-8-10-16(11-9-15)35(32,33)28(6-2)7-3/h8-11H,5-7,12-14H2,1-4H3,(H,25,29)(H2,24,26,30,31)
• InChIKey: UIFDQUVMHPTHQK-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.67
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3281786) is 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(=O)NC(=O)NC)C1.

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

The InChIKey is UIFDQUVMHPTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5S2/c1-5-27-13-12-17-18(14-27)34-22(19(17)21(30)26-23(31)24-4)25-20(29)15-8-10-16(11-9-15)35(32,33)28(6-2)7-3/h8-11H,5-7,12-14H2,1-4H3,(H,25,29)(H2,24,26,30,31).

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

2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3281786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).