(2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C27H30N4O4S2 — CID 51396031

About (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

(2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 51396031) has the molecular formula C27H30N4O4S2 and a molecular weight of 538.70 g/mol. Its IUPAC name is (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
• PubChem CID: 51396031
• Molecular Formula: C27H30N4O4S2
• Molecular Weight: 538.70 g/mol
• Exact Mass: 538.17
• IUPAC Name: (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
• SMILES: CCCCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21
• InChI: InChI=1S/C27H30N4O4S2/c1-4-5-15-31-23-13-12-20(37(28,33)34)17-21(23)30-27(31)36-25(19-9-7-6-8-10-19)26(32)29-22-16-18(2)11-14-24(22)35-3/h6-14,16-17,25H,4-5,15H2,1-3H3,(H,29,32)(H2,28,33,34)/t25-/m1/s1
• InChIKey: WCFFOYFUWQWGEQ-RUZDIDTESA-N
• XLogP: 5.27
• TPSA: 116.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.70
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?

The IUPAC name of (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 51396031) is (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

What is the SMILES notation for (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?

The canonical SMILES for (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is CCCCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21.

What is the InChIKey of (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?

The InChIKey is WCFFOYFUWQWGEQ-RUZDIDTESA-N. The full InChI is InChI=1S/C27H30N4O4S2/c1-4-5-15-31-23-13-12-20(37(28,33)34)17-21(23)30-27(31)36-25(19-9-7-6-8-10-19)26(32)29-22-16-18(2)11-14-24(22)35-3/h6-14,16-17,25H,4-5,15H2,1-3H3,(H,29,32)(H2,28,33,34)/t25-/m1/s1.

What are the key properties of (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?

(2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 538.70 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 51396031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).