1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

C22H28N2O3S — CID 38294416

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-5-4-6-19(13-16)15-23-22(25)20-9-11-24(12-10-20)28(26,27)21-8-7-17(2)18(3)14-21/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyUDQCPFGMKPIWDI-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.33
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 38294416) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID38294416
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-5-4-6-19(13-16)15-23-22(25)20-9-11-24(12-10-20)28(26,27)21-8-7-17(2)18(3)14-21/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyUDQCPFGMKPIWDI-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 32870346
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46422068
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55749704

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 38294416) is 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UDQCPFGMKPIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-5-4-6-19(13-16)15-23-22(25)20-9-11-24(12-10-20)28(26,27)21-8-7-17(2)18(3)14-21/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38294416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).