N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide

C23H29N5O3S — CID 1462264

IUPACN-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3CC(C)C)CC2)cc1
InChIInChI=1S/C23H29N5O3S/c1-17(2)16-28-22-7-5-4-6-21(22)25-23(28)26-12-14-27(15-13-26)32(30,31)20-10-8-19(9-11-20)24-18(3)29/h4-11,17H,12-16H2,1-3H3,(H,24,29)
InChIKeyKTVIGOVTFNKTKI-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.16
Rot. Bonds6

About N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1462264) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1462264
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC NameN-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3CC(C)C)CC2)cc1
InChIInChI=1S/C23H29N5O3S/c1-17(2)16-28-22-7-5-4-6-21(22)25-23(28)26-12-14-27(15-13-26)32(30,31)20-10-8-19(9-11-20)24-18(3)29/h4-11,17H,12-16H2,1-3H3,(H,24,29)
InChIKeyKTVIGOVTFNKTKI-UHFFFAOYSA-N
XLogP3.16
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pf-05212377
CID 46203710
N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
CID 2836732
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CID 4239327
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylbutanamide
CID 10028545
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonyl-2-methylpropanamide
CID 10390872
N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
CID 122179031
N-[4-(5,6-dimethylbenzimidazol-1-yl)sulfonylphenyl]acetamide
CID 775478
4-methyl-N-(2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenyl)benzenesulfonamide
CID 1147318
Piperidine, 1-[(1-ethyl-2-methyl-1H-benzimidazol-5-yl)sulfonyl]-
CID 2828846
4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 10885807
4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 10962130
1-[[1-(3-Methylbutyl)benzimidazol-2-yl]methyl]-3-methylsulfonylbenzimidazol-2-one
CID 11154163

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 1462264) is N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3CC(C)C)CC2)cc1.
What is the InChIKey of N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is KTVIGOVTFNKTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-17(2)16-28-22-7-5-4-6-21(22)25-23(28)26-12-14-27(15-13-26)32(30,31)20-10-8-19(9-11-20)24-18(3)29/h4-11,17H,12-16H2,1-3H3,(H,24,29).
What are the key properties of N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 455.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1462264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).