N-(3-methyl-4-methylsulfonylphenyl)acetamide

C10H13NO3S — CID 604023

IUPACN-(3-methyl-4-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(C)(=O)=O)c(C)c1
InChIInChI=1S/C10H13NO3S/c1-7-6-9(11-8(2)12)4-5-10(7)15(3,13)14/h4-6H,1-3H3,(H,11,12)
InChIKeySJYDMRYFPWUZSY-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.36
Rot. Bonds2

About N-(3-methyl-4-methylsulfonylphenyl)acetamide

N-(3-methyl-4-methylsulfonylphenyl)acetamide (PubChem CID 604023) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3-methyl-4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-4-methylsulfonylphenyl)acetamide
PubChem CID604023
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(3-methyl-4-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(C)(=O)=O)c(C)c1
InChIInChI=1S/C10H13NO3S/c1-7-6-9(11-8(2)12)4-5-10(7)15(3,13)14/h4-6H,1-3H3,(H,11,12)
InChIKeySJYDMRYFPWUZSY-UHFFFAOYSA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Monoacetyldapsone
CID 11257
N-Acetylsulfanilyl chloride
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4-Methanesulfonyl-3-methylaniline
CID 825918
4'-(Methylsulfonyl)acetanilide
CID 257586
4'-(Methylthio)acetanilide
CID 289475
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-acetamide
CID 14918530
N-(2-(Methylsulfonyl)phenyl)acetamide
CID 826278
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-{4-[(3-oxobutyl)sulfonyl]phenyl}acetamide
CID 790842
4'-(2-Cyanoethylsulfonyl)acetanilide
CID 3239094
N-(4-((4-methylphenyl)sulfonyl)phenyl)acetamide
CID 272502

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-methyl-4-methylsulfonylphenyl)acetamide (CID 604023) is N-(3-methyl-4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-methyl-4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-methyl-4-methylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(3-methyl-4-methylsulfonylphenyl)acetamide?
The InChIKey is SJYDMRYFPWUZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-6-9(11-8(2)12)4-5-10(7)15(3,13)14/h4-6H,1-3H3,(H,11,12).
What are the key properties of N-(3-methyl-4-methylsulfonylphenyl)acetamide?
N-(3-methyl-4-methylsulfonylphenyl)acetamide has a molecular weight of 227.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 604023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).