1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

C23H29N3O4S — CID 133167754

IUPAC1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H29N3O4S/c1-3-17(2)24-23(28)20-13-7-8-14-21(20)25-22(27)18-10-9-15-26(16-18)31(29,30)19-11-5-4-6-12-19/h4-8,11-14,17-18H,3,9-10,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRTLLESIAGXTDKK-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.25
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 133167754) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID133167754
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H29N3O4S/c1-3-17(2)24-23(28)20-13-7-8-14-21(20)25-22(27)18-10-9-15-26(16-18)31(29,30)19-11-5-4-6-12-19/h4-8,11-14,17-18H,3,9-10,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRTLLESIAGXTDKK-UHFFFAOYSA-N
XLogP3.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133167979
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 46763501
1-(4-fluorophenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133168195
(3S)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28636107
1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132672917
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189444
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
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-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 133167754) is 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is CCC(C)NC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is RTLLESIAGXTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-17(2)24-23(28)20-13-7-8-14-21(20)25-22(27)18-10-9-15-26(16-18)31(29,30)19-11-5-4-6-12-19/h4-8,11-14,17-18H,3,9-10,15-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.25, 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-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 133167754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).