1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C21H26N2O3S — CID 2981997

IUPAC1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)17-10-12-19(13-11-17)22-21(24)18-7-6-14-23(15-18)27(25,26)20-8-4-3-5-9-20/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyPWHWVUKQVPAIGT-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.85
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 2981997) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID2981997
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)17-10-12-19(13-11-17)22-21(24)18-7-6-14-23(15-18)27(25,26)20-8-4-3-5-9-20/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyPWHWVUKQVPAIGT-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1456847
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 2981997) is 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is PWHWVUKQVPAIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16(2)17-10-12-19(13-11-17)22-21(24)18-7-6-14-23(15-18)27(25,26)20-8-4-3-5-9-20/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,22,24).
What are the key properties of 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 2981997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).