1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide

C20H24N2O3S — CID 45153730

IUPAC1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H24N2O3S/c1-2-16-9-6-7-13-19(16)21-20(23)17-10-8-14-22(15-17)26(24,25)18-11-4-3-5-12-18/h3-7,9,11-13,17H,2,8,10,14-15H2,1H3,(H,21,23)
InChIKeyYJADCUOAVGTOGY-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.29
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide (PubChem CID 45153730) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
PubChem CID45153730
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H24N2O3S/c1-2-16-9-6-7-13-19(16)21-20(23)17-10-8-14-22(15-17)26(24,25)18-11-4-3-5-12-18/h3-7,9,11-13,17H,2,8,10,14-15H2,1H3,(H,21,23)
InChIKeyYJADCUOAVGTOGY-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1456841
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 53079210
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 3902982
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167754
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
ethyl 3-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-2-methylbenzoate
CID 100659615

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide (CID 45153730) is 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is YJADCUOAVGTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-16-9-6-7-13-19(16)21-20(23)17-10-8-14-22(15-17)26(24,25)18-11-4-3-5-12-18/h3-7,9,11-13,17H,2,8,10,14-15H2,1H3,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 45153730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).