N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide

C22H34N2O3S — CID 58702063

IUPACN-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCCC3)C2)cc1
InChIInChI=1S/C22H34N2O3S/c1-17(2)19-10-12-21(13-11-19)28(26,27)24-14-6-9-20(16-24)22(25)23-15-18-7-4-3-5-8-18/h10-13,17-18,20H,3-9,14-16H2,1-2H3,(H,23,25)
InChIKeyVWIMYQXCLXLZQG-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.91
Rot. Bonds6

About N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide

N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 58702063) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID58702063
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC NameN-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCCC3)C2)cc1
InChIInChI=1S/C22H34N2O3S/c1-17(2)19-10-12-21(13-11-19)28(26,27)24-14-6-9-20(16-24)22(25)23-15-18-7-4-3-5-8-18/h10-13,17-18,20H,3-9,14-16H2,1-2H3,(H,23,25)
InChIKeyVWIMYQXCLXLZQG-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 58702055
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-[[1-(4-aminophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173135990
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 40699579
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide (CID 58702063) is N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3CCCCC3)C2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is VWIMYQXCLXLZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-17(2)19-10-12-21(13-11-19)28(26,27)24-14-6-9-20(16-24)22(25)23-15-18-7-4-3-5-8-18/h10-13,17-18,20H,3-9,14-16H2,1-2H3,(H,23,25).
What are the key properties of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide?
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 406.59 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 58702063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).