4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide

C20H23NO4S — CID 91651646

IUPAC4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(CO)c1
InChIInChI=1S/C20H23NO4S/c1-21(17-6-4-5-15(13-17)14-22)20(23)16-9-11-19(12-10-16)26(24,25)18-7-2-3-8-18/h4-6,9-13,18,22H,2-3,7-8,14H2,1H3
InChIKeyRJDNQICBOUDDCK-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.17
Rot. Bonds5

About 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide

4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide (PubChem CID 91651646) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide
PubChem CID91651646
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(CO)c1
InChIInChI=1S/C20H23NO4S/c1-21(17-6-4-5-15(13-17)14-22)20(23)16-9-11-19(12-10-16)26(24,25)18-7-2-3-8-18/h4-6,9-13,18,22H,2-3,7-8,14H2,1H3
InChIKeyRJDNQICBOUDDCK-UHFFFAOYSA-N
XLogP3.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86943568
3-[(4-cyclopentylsulfonylbenzoyl)-methylamino]propanoic acid
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N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
2-(3-cyclopentylsulfonylphenyl)ethanol
CID 69436577
4-cycloheptylsulfonylbenzoic acid
CID 82925823
N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
CID 119659238
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 51161111
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide?
The IUPAC name of 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide (CID 91651646) is 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide?
The canonical SMILES for 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide is CN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(CO)c1.
What is the InChIKey of 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide?
The InChIKey is RJDNQICBOUDDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-21(17-6-4-5-15(13-17)14-22)20(23)16-9-11-19(12-10-16)26(24,25)18-7-2-3-8-18/h4-6,9-13,18,22H,2-3,7-8,14H2,1H3.
What are the key properties of 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide?
4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide has a molecular weight of 373.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide is sourced from PubChem (CID 91651646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).