N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide

C22H26N4O3S — CID 55430406

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O3S/c1-14(2)12-20(21-23-18-8-3-4-9-19(18)24-21)25-22(27)15-6-5-7-17(13-15)30(28,29)26-16-10-11-16/h3-9,13-14,16,20,26H,10-12H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJZKVBOJKKDWJPT-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.52
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 55430406) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID55430406
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O3S/c1-14(2)12-20(21-23-18-8-3-4-9-19(18)24-21)25-22(27)15-6-5-7-17(13-15)30(28,29)26-16-10-11-16/h3-9,13-14,16,20,26H,10-12H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJZKVBOJKKDWJPT-UHFFFAOYSA-N
XLogP3.52
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(cyclopentylsulfamoyl)benzamide
CID 55938807
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CID 46570374
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 134011441
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
CID 27448142
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55488977
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 75857074
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 60620449
4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
CID 27853449
3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzamide
CID 2515814
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]oxolane-2-carboxamide
CID 40939596

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide (CID 55430406) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide is CC(C)CC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is JZKVBOJKKDWJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14(2)12-20(21-23-18-8-3-4-9-19(18)24-21)25-22(27)15-6-5-7-17(13-15)30(28,29)26-16-10-11-16/h3-9,13-14,16,20,26H,10-12H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 426.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55430406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).