(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide

C20H24N2O3S — CID 7283911

IUPAC(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-16-10-12-18(13-11-16)21-20(23)17-7-6-14-22(15-17)26(24,25)19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyXQOCCXJSXJDAPO-KRWDZBQOSA-N
MW372.49 g/mol
LogP3.29
Rot. Bonds5

About (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide

(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide (PubChem CID 7283911) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
PubChem CID7283911
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-16-10-12-18(13-11-16)21-20(23)17-7-6-14-22(15-17)26(24,25)19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyXQOCCXJSXJDAPO-KRWDZBQOSA-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

1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3S)-N-(4-ethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641457
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide (CID 7283911) is (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide is CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is XQOCCXJSXJDAPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-16-10-12-18(13-11-16)21-20(23)17-7-6-14-22(15-17)26(24,25)19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
(3S)-1-(benzenesulfonyl)-N-(4-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 (3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 7283911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).