N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide

C10H11NO4S — CID 115166097

IUPACN-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide
SMILESCN(C(=O)C=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H11NO4S/c1-11(10(13)7-12)8-3-5-9(6-4-8)16(2,14)15/h3-7H,1-2H3
InChIKeyRBUYUDSMCHWHEB-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.25
Rot. Bonds3

About N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide

N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide (PubChem CID 115166097) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide
PubChem CID115166097
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC NameN-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide
SMILESCN(C(=O)C=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H11NO4S/c1-11(10(13)7-12)8-3-5-9(6-4-8)16(2,14)15/h3-7H,1-2H3
InChIKeyRBUYUDSMCHWHEB-UHFFFAOYSA-N
XLogP0.25
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(4-methylsulfonylphenyl)-2-sulfanylacetamide
CID 115167078
methyl N-methyl-N-(4-methylsulfonylphenyl)carbamate
CID 5082622
N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
CID 136579118
N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47074146
trans-(1R,3R)-N-methyl-N-(4-methylsulfonylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95198563
formic acid;4-methylsulfonylphenol
CID 175318493
2-(N-methyl-4-methylsulfonylanilino)acetonitrile
CID 115130886
methyl-(4-methylsulfonylphenyl)cyanamide
CID 117043233
2-methyl-3-(N-methyl-4-methylsulfonylanilino)propanoic acid
CID 55007680
N,N-diethyl-4-methylsulfonylaniline
CID 145223146
(Z)-but-2-enedial;(Z)-N-[4-(dimethylamino)phenyl]-N-methyl-4-oxobut-2-enamide
CID 145403709
(Z)-N-(cyanomethyl)-3-(N-formyl-4-methylsulfonylanilino)-N-methyl-3-(4-methylphenyl)prop-2-enamide
CID 143392017

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide?
The IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide (CID 115166097) is N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide?
The canonical SMILES for N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide is CN(C(=O)C=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide?
The InChIKey is RBUYUDSMCHWHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-11(10(13)7-12)8-3-5-9(6-4-8)16(2,14)15/h3-7H,1-2H3.
What are the key properties of N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide?
N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide has a molecular weight of 241.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfonylphenyl)-2-oxoacetamide is sourced from PubChem (CID 115166097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).