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

C26H37N5O5S2 — CID 4184678

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

2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4184678) has the molecular formula C26H37N5O5S2 and a molecular weight of 563.75 g/mol. Its IUPAC name is 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 4184678
• Molecular Formula: C26H37N5O5S2
• Molecular Weight: 563.75 g/mol
• Exact Mass: 563.22
• IUPAC Name: 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CNC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCN(C)C2
• InChI: InChI=1S/C26H37N5O5S2/c1-16(2)13-31(14-17(3)4)38(35,36)19-9-7-18(8-10-19)23(32)28-25-22(24(33)29-26(34)27-5)20-11-12-30(6)15-21(20)37-25/h7-10,16-17H,11-15H2,1-6H3,(H,28,32)(H2,27,29,33,34)
• InChIKey: ZIZXMEOCQGPDTE-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.75
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4184678) is 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CNC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCN(C)C2.

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

The InChIKey is ZIZXMEOCQGPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O5S2/c1-16(2)13-31(14-17(3)4)38(35,36)19-9-7-18(8-10-19)23(32)28-25-22(24(33)29-26(34)27-5)20-11-12-30(6)15-21(20)37-25/h7-10,16-17H,11-15H2,1-6H3,(H,28,32)(H2,27,29,33,34).

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

2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 563.75 g/mol, XLogP of 3.36, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4184678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).