N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

C20H24N2O3S — CID 113006264

IUPACN-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-16-8-6-7-11-19(16)26(24,25)22-14-12-17(13-15-22)20(23)21(2)18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3
InChIKeyBNUBAOCXEZPKRC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 113006264) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID113006264
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-16-8-6-7-11-19(16)26(24,25)22-14-12-17(13-15-22)20(23)21(2)18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3
InChIKeyBNUBAOCXEZPKRC-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935033
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100780406
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 113004619
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 113006264) is N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is BNUBAOCXEZPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-8-6-7-11-19(16)26(24,25)22-14-12-17(13-15-22)20(23)21(2)18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 113006264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).