N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide

C17H25NO3S — CID 38335818

IUPACN-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-22(20,21)13-15-8-4-10-16(12-15)17(19)18-11-5-9-14-6-2-3-7-14/h4,8,10,12,14H,2-3,5-7,9,11,13H2,1H3,(H,18,19)
InChIKeyPOUUUYCAUMOIRK-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.93
Rot. Bonds7

About N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide

N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide (PubChem CID 38335818) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide
PubChem CID38335818
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-22(20,21)13-15-8-4-10-16(12-15)17(19)18-11-5-9-14-6-2-3-7-14/h4,8,10,12,14H,2-3,5-7,9,11,13H2,1H3,(H,18,19)
InChIKeyPOUUUYCAUMOIRK-UHFFFAOYSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylphenoxy)propyl]-3-(methylsulfonylmethyl)benzamide
CID 27040363
N-(3-cyclopentylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38857095
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106014654
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
3-[[[N-(3-cyclopentylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111947135

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide (CID 38335818) is N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)NCCCC2CCCC2)c1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide?
The InChIKey is POUUUYCAUMOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-22(20,21)13-15-8-4-10-16(12-15)17(19)18-11-5-9-14-6-2-3-7-14/h4,8,10,12,14H,2-3,5-7,9,11,13H2,1H3,(H,18,19).
What are the key properties of N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide?
N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide has a molecular weight of 323.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 38335818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).