1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide

C22H28N2O3S — CID 2928504

IUPAC1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-22(2,3)17-12-14-18(15-13-17)23-21(25)20-11-7-8-16-24(20)28(26,27)19-9-5-4-6-10-19/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3,(H,23,25)
InChIKeyUPTSQYFBPARLAY-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.17
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide (PubChem CID 2928504) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
PubChem CID2928504
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-22(2,3)17-12-14-18(15-13-17)23-21(25)20-11-7-8-16-24(20)28(26,27)19-9-5-4-6-10-19/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3,(H,23,25)
InChIKeyUPTSQYFBPARLAY-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648500
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648529
1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
CID 112803511
1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 55505334
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
methyl 2-[[4-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]benzoyl]amino]acetate
CID 43059754
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide (CID 2928504) is 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide?
The InChIKey is UPTSQYFBPARLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-22(2,3)17-12-14-18(15-13-17)23-21(25)20-11-7-8-16-24(20)28(26,27)19-9-5-4-6-10-19/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 2928504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).