N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H24N2O3S — CID 113003936

IUPACN-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-6-5-9-19(14-16)26(24,25)22-12-10-18(11-13-22)20(23)21-15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
InChIKeyGPJCLBIRHZEXSQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.71
Rot. Bonds5

About N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113003936) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113003936
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-6-5-9-19(14-16)26(24,25)22-12-10-18(11-13-22)20(23)21-15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
InChIKeyGPJCLBIRHZEXSQ-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294416
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 113003936) is N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GPJCLBIRHZEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-6-5-9-19(14-16)26(24,25)22-12-10-18(11-13-22)20(23)21-15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23).
What are the key properties of N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113003936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).