N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide

C29H32N4O3S — CID 90216650

About N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide

N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 90216650) has the molecular formula C29H32N4O3S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
• PubChem CID: 90216650
• Molecular Formula: C29H32N4O3S
• Molecular Weight: 516.67 g/mol
• Exact Mass: 516.22
• IUPAC Name: N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
• SMILES: C[C@H](c1ccccc1)N(C)C(=O)C1CCC(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1
• InChI: InChI=1S/C29H32N4O3S/c1-20(21-9-5-3-6-10-21)33(2)29(34)23-13-15-24(16-14-23)32-37(35,36)25-17-18-26-27(19-25)31-28(30-26)22-11-7-4-8-12-22/h3-12,17-20,23-24,32H,13-16H2,1-2H3,(H,30,31)/t20-,23?,24?/m1/s1
• InChIKey: OUEJTCJIGHLXQO-QUVATAORSA-N
• XLogP: 5.29
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.67
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide?

The IUPAC name of N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide (CID 90216650) is N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide is C[C@H](c1ccccc1)N(C)C(=O)C1CCC(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1.

What is the InChIKey of N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide?

The InChIKey is OUEJTCJIGHLXQO-QUVATAORSA-N. The full InChI is InChI=1S/C29H32N4O3S/c1-20(21-9-5-3-6-10-21)33(2)29(34)23-13-15-24(16-14-23)32-37(35,36)25-17-18-26-27(19-25)31-28(30-26)22-11-7-4-8-12-22/h3-12,17-20,23-24,32H,13-16H2,1-2H3,(H,30,31)/t20-,23?,24?/m1/s1.

What are the key properties of N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide?

N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 516.67 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 90216650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).