N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide

C23H28N4O3S — CID 55938807

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O3S/c1-15(2)21(22-24-19-12-5-6-13-20(19)25-22)26-23(28)16-8-7-11-18(14-16)31(29,30)27-17-9-3-4-10-17/h5-8,11-15,17,21,27H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,28)/t21-/m0/s1
InChIKeyCCWLNNMZKCEGNI-NRFANRHFSA-N
MW440.57 g/mol
LogP3.91
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide (PubChem CID 55938807) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide
PubChem CID55938807
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O3S/c1-15(2)21(22-24-19-12-5-6-13-20(19)25-22)26-23(28)16-8-7-11-18(14-16)31(29,30)27-17-9-3-4-10-17/h5-8,11-15,17,21,27H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,28)/t21-/m0/s1
InChIKeyCCWLNNMZKCEGNI-NRFANRHFSA-N
XLogP3.91
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 134011441
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55430406
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 75857074
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 55943106
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide (CID 55938807) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide is CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide?
The InChIKey is CCWLNNMZKCEGNI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15(2)21(22-24-19-12-5-6-13-20(19)25-22)26-23(28)16-8-7-11-18(14-16)31(29,30)27-17-9-3-4-10-17/h5-8,11-15,17,21,27H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide has a molecular weight of 440.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide is sourced from PubChem (CID 55938807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).