1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide

C22H27N3O4S — CID 6498124

IUPAC1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O4S/c1-2-8-21(26)23-19-11-6-7-12-20(19)24-22(27)17-13-15-25(16-14-17)30(28,29)18-9-4-3-5-10-18/h3-7,9-12,17H,2,8,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyPAHWRQJWEJAPRB-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.46
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 6498124) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID6498124
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O4S/c1-2-8-21(26)23-19-11-6-7-12-20(19)24-22(27)17-13-15-25(16-14-17)30(28,29)18-9-4-3-5-10-18/h3-7,9-12,17H,2,8,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyPAHWRQJWEJAPRB-UHFFFAOYSA-N
XLogP3.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
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1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
N-naphthalen-1-yl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26087240
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
1-(benzenesulfonyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 16609522
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
N-(2-ethylsulfonylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55613261
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
1-(4-tert-butylphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 27167039
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide (CID 6498124) is 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide is CCCC(=O)Nc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is PAHWRQJWEJAPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-2-8-21(26)23-19-11-6-7-12-20(19)24-22(27)17-13-15-25(16-14-17)30(28,29)18-9-4-3-5-10-18/h3-7,9-12,17H,2,8,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 6498124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).