N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide

C17H26N2O3S — CID 47021840

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCCN2S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-15(14(2)11-13)12-18(3)17(20)16-7-5-6-10-19(16)23(4,21)22/h8-9,11,16H,5-7,10,12H2,1-4H3
InChIKeyZGUBQRUMQAVABX-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.08
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide

N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 47021840) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID47021840
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCCN2S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-15(14(2)11-13)12-18(3)17(20)16-7-5-6-10-19(16)23(4,21)22/h8-9,11,16H,5-7,10,12H2,1-4H3
InChIKeyZGUBQRUMQAVABX-UHFFFAOYSA-N
XLogP2.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 35380970
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56864939
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
CID 136536254
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9227950
(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 124815201
cis-(1S,2R)-2-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091785
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 17477585
N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide
CID 43017891
4-[methyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoic acid
CID 43360144
N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778607

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide (CID 47021840) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide is Cc1ccc(CN(C)C(=O)C2CCCCN2S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is ZGUBQRUMQAVABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-8-9-15(14(2)11-13)12-18(3)17(20)16-7-5-6-10-19(16)23(4,21)22/h8-9,11,16H,5-7,10,12H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 47021840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).