N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide

C12H15NO3S — CID 136579118

IUPACN-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H15NO3S/c1-13(12(14)9-3-4-9)10-5-7-11(8-6-10)17(2,15)16/h5-9H,3-4H2,1-2H3
InChIKeyHCXQGHPCFMXKEF-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.46
Rot. Bonds3

About N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide

N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide (PubChem CID 136579118) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
PubChem CID136579118
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H15NO3S/c1-13(12(14)9-3-4-9)10-5-7-11(8-6-10)17(2,15)16/h5-9H,3-4H2,1-2H3
InChIKeyHCXQGHPCFMXKEF-UHFFFAOYSA-N
XLogP1.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-N-methyl-N-(4-methylsulfonylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95198563
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
N-[4-(methanesulfonamido)phenyl]-N-methylcyclohexanecarboxamide
CID 113094578
N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide
CID 115166097
methyl N-methyl-N-(4-methylsulfonylphenyl)carbamate
CID 5082622
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-(4-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150778
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-methyl-N-(4-methylsulfonylphenyl)-2-sulfanylacetamide
CID 115167078
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide (CID 136579118) is N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide is CN(C(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide?
The InChIKey is HCXQGHPCFMXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-13(12(14)9-3-4-9)10-5-7-11(8-6-10)17(2,15)16/h5-9H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide?
N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide has a molecular weight of 253.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 136579118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).