4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide

C25H24N6O3S — CID 167807391

About 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide

4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide (PubChem CID 167807391) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
• PubChem CID: 167807391
• Molecular Formula: C25H24N6O3S
• Molecular Weight: 488.57 g/mol
• Exact Mass: 488.16
• IUPAC Name: 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
• SMILES: Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3nc4c([nH]3)CCCC4)cc2)c2[nH]cc(C#N)c12
• InChI: InChI=1S/C25H24N6O3S/c1-15-6-11-21(24-23(15)17(12-26)13-27-24)31-35(33,34)18-9-7-16(8-10-18)25(32)28-14-22-29-19-4-2-3-5-20(19)30-22/h6-11,13,27,31H,2-5,14H2,1H3,(H,28,32)(H,29,30)
• InChIKey: KZIVLWRDOJBBFF-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 143.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.57
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?

The IUPAC name of 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide (CID 167807391) is 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?

The canonical SMILES for 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3nc4c([nH]3)CCCC4)cc2)c2[nH]cc(C#N)c12.

What is the InChIKey of 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?

The InChIKey is KZIVLWRDOJBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c1-15-6-11-21(24-23(15)17(12-26)13-27-24)31-35(33,34)18-9-7-16(8-10-18)25(32)28-14-22-29-19-4-2-3-5-20(19)30-22/h6-11,13,27,31H,2-5,14H2,1H3,(H,28,32)(H,29,30).

What are the key properties of 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?

4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide has a molecular weight of 488.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 167807391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).