1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide

C21H32N2O3S — CID 46574021

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-15-5-4-6-19(14-15)22-21(24)18-9-11-23(12-10-18)27(25,26)20-8-7-16(2)13-17(20)3/h7-8,13,15,18-19H,4-6,9-12,14H2,1-3H3,(H,22,24)
InChIKeyQMIINPSWGIVCFT-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.40
Rot. Bonds4

About 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 46574021) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID46574021
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-15-5-4-6-19(14-15)22-21(24)18-9-11-23(12-10-18)27(25,26)20-8-7-16(2)13-17(20)3/h7-8,13,15,18-19H,4-6,9-12,14H2,1-3H3,(H,22,24)
InChIKeyQMIINPSWGIVCFT-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 78799184
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
(2R)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119369656
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108560662
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide (CID 46574021) is 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is QMIINPSWGIVCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-15-5-4-6-19(14-15)22-21(24)18-9-11-23(12-10-18)27(25,26)20-8-7-16(2)13-17(20)3/h7-8,13,15,18-19H,4-6,9-12,14H2,1-3H3,(H,22,24).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 46574021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).