N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide

C17H25NO3S — CID 20766379

IUPACN-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide
SMILESCC(C)CC1(CC(=O)NS(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C17H25NO3S/c1-14(2)12-17(10-6-7-11-17)13-16(19)18-22(20,21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,18,19)
InChIKeyZROPZWCOKSHANQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.49
Rot. Bonds6

About N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide

N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide (PubChem CID 20766379) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide
PubChem CID20766379
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide
SMILESCC(C)CC1(CC(=O)NS(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C17H25NO3S/c1-14(2)12-17(10-6-7-11-17)13-16(19)18-22(20,21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,18,19)
InChIKeyZROPZWCOKSHANQ-UHFFFAOYSA-N
XLogP3.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide
CID 102513772
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308699
methyl N-(benzenesulfonyl)carbamate
CID 676519
1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide
CID 103308752
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
CID 103308815
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
CID 103308862
N-[(2E,4Z)-3,5,7-trimethylocta-2,4-dien-2-yl]benzenesulfonamide
CID 143692862

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide (CID 20766379) is N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide is CC(C)CC1(CC(=O)NS(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide?
The InChIKey is ZROPZWCOKSHANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-14(2)12-17(10-6-7-11-17)13-16(19)18-22(20,21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,18,19).
What are the key properties of N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide?
N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide is sourced from PubChem (CID 20766379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).