2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide

C11H15NO4S — CID 110470575

IUPAC2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
SMILESCOCC(=O)NCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-16-8-11(13)12-7-9-5-3-4-6-10(9)17(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyZPCJSSCYMGCSBP-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.35
Rot. Bonds5

About 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide

2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide (PubChem CID 110470575) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
PubChem CID110470575
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
SMILESCOCC(=O)NCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-16-8-11(13)12-7-9-5-3-4-6-10(9)17(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyZPCJSSCYMGCSBP-UHFFFAOYSA-N
XLogP0.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479196
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine
CID 82613603
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide (CID 110470575) is 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide is COCC(=O)NCc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide?
The InChIKey is ZPCJSSCYMGCSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-8-11(13)12-7-9-5-3-4-6-10(9)17(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide?
2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide has a molecular weight of 257.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 110470575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).