6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C23H28N4O6S2 — CID 16833682

About 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 16833682) has the molecular formula C23H28N4O6S2 and a molecular weight of 520.63 g/mol. Its IUPAC name is 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 16833682
• Molecular Formula: C23H28N4O6S2
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.15
• IUPAC Name: 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)c2C(N)=O)C1
• InChI: InChI=1S/C23H28N4O6S2/c1-14(28)27-10-9-18-19(13-27)34-23(20(18)21(24)29)25-22(30)15-5-7-17(8-6-15)35(31,32)26(2)12-16-4-3-11-33-16/h5-8,16H,3-4,9-13H2,1-2H3,(H2,24,29)(H,25,30)
• InChIKey: JEVCEFISFDEHKQ-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 139.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 16833682) is 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)c2C(N)=O)C1.

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

The InChIKey is JEVCEFISFDEHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S2/c1-14(28)27-10-9-18-19(13-27)34-23(20(18)21(24)29)25-22(30)15-5-7-17(8-6-15)35(31,32)26(2)12-16-4-3-11-33-16/h5-8,16H,3-4,9-13H2,1-2H3,(H2,24,29)(H,25,30).

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

6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 16833682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).