N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C22H34N2O3S — CID 30726432

IUPACN-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C22H34N2O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-20(10-12-24)22(25)23-15-19-7-5-4-6-8-19/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)
InChIKeyVVXMNMOYVFAVRK-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.71
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 30726432) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID30726432
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC NameN-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C22H34N2O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-20(10-12-24)22(25)23-15-19-7-5-4-6-8-19/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)
InChIKeyVVXMNMOYVFAVRK-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 30726432) is N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)c(C)c1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is VVXMNMOYVFAVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-20(10-12-24)22(25)23-15-19-7-5-4-6-8-19/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25).
What are the key properties of N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 406.59 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30726432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).