N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide

C21H26N4O3S — CID 16596277

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C21H26N4O3S/c1-13(2)19(20-22-17-7-5-6-8-18(17)23-20)24-21(26)15-9-11-16(12-10-15)29(27,28)25-14(3)4/h5-14,19,25H,1-4H3,(H,22,23)(H,24,26)/t19-/m0/s1
InChIKeyGPOYARZLVIBTJW-IBGZPJMESA-N
MW414.53 g/mol
LogP3.38
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16596277) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID16596277
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C21H26N4O3S/c1-13(2)19(20-22-17-7-5-6-8-18(17)23-20)24-21(26)15-9-11-16(12-10-15)29(27,28)25-14(3)4/h5-14,19,25H,1-4H3,(H,22,23)(H,24,26)/t19-/m0/s1
InChIKeyGPOYARZLVIBTJW-IBGZPJMESA-N
XLogP3.38
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.38
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)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 55814441
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-[(carbamoylamino)methyl]benzamide
CID 78781645
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide
CID 55938807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 55471877
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55488977
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 16596277) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GPOYARZLVIBTJW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-13(2)19(20-22-17-7-5-6-8-18(17)23-20)24-21(26)15-9-11-16(12-10-15)29(27,28)25-14(3)4/h5-14,19,25H,1-4H3,(H,22,23)(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 414.53 g/mol, XLogP of 3.38, 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]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16596277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).