N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide

C30H32N4O4S — CID 67360864

About N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide

N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide (PubChem CID 67360864) has the molecular formula C30H32N4O4S and a molecular weight of 544.68 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide
• PubChem CID: 67360864
• Molecular Formula: C30H32N4O4S
• Molecular Weight: 544.68 g/mol
• Exact Mass: 544.21
• IUPAC Name: N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide
• SMILES: CCCC(CC(=O)NS(=O)(=O)c1ccccc1)n1c(=O)n(C(C)c2c[nH]c3cccc(C)c23)c2ccccc21
• InChI: InChI=1S/C30H32N4O4S/c1-4-11-22(18-28(35)32-39(37,38)23-13-6-5-7-14-23)34-27-17-9-8-16-26(27)33(30(34)36)21(3)24-19-31-25-15-10-12-20(2)29(24)25/h5-10,12-17,19,21-22,31H,4,11,18H2,1-3H3,(H,32,35)
• InChIKey: SAQSMGKRTLZADZ-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 105.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.68
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide?

The IUPAC name of N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide (CID 67360864) is N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide.

What is the SMILES notation for N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide?

The canonical SMILES for N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide is CCCC(CC(=O)NS(=O)(=O)c1ccccc1)n1c(=O)n(C(C)c2c[nH]c3cccc(C)c23)c2ccccc21.

What is the InChIKey of N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide?

The InChIKey is SAQSMGKRTLZADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4S/c1-4-11-22(18-28(35)32-39(37,38)23-13-6-5-7-14-23)34-27-17-9-8-16-26(27)33(30(34)36)21(3)24-19-31-25-15-10-12-20(2)29(24)25/h5-10,12-17,19,21-22,31H,4,11,18H2,1-3H3,(H,32,35).

What are the key properties of N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide?

N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide has a molecular weight of 544.68 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide is sourced from PubChem (CID 67360864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).