N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C20H32N2O3S — CID 2207161

IUPACN-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)c(C)c1
InChIInChI=1S/C20H32N2O3S/c1-14(2)6-9-21-20(23)18-7-10-22(11-8-18)26(24,25)19-16(4)12-15(3)13-17(19)5/h12-14,18H,6-11H2,1-5H3,(H,21,23)
InChIKeyKCRCIYYMLUKGQC-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.17
Rot. Bonds6

About N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2207161) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2207161
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)c(C)c1
InChIInChI=1S/C20H32N2O3S/c1-14(2)6-9-21-20(23)18-7-10-22(11-8-18)26(24,25)19-16(4)12-15(3)13-17(19)5/h12-14,18H,6-11H2,1-5H3,(H,21,23)
InChIKeyKCRCIYYMLUKGQC-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.17
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-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 2207161) is N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)c(C)c1.
What is the InChIKey of N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KCRCIYYMLUKGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-14(2)6-9-21-20(23)18-7-10-22(11-8-18)26(24,25)19-16(4)12-15(3)13-17(19)5/h12-14,18H,6-11H2,1-5H3,(H,21,23).
What are the key properties of N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 380.55 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2207161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).