2-(3-methylphenyl)-N-methylsulfonylacetamide

C10H13NO3S — CID 118232046

IUPAC2-(3-methylphenyl)-N-methylsulfonylacetamide
SMILESCc1cccc(CC(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C10H13NO3S/c1-8-4-3-5-9(6-8)7-10(12)11-15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyODWDKRMVXCITKR-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.61
Rot. Bonds3

About 2-(3-methylphenyl)-N-methylsulfonylacetamide

2-(3-methylphenyl)-N-methylsulfonylacetamide (PubChem CID 118232046) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-methylsulfonylacetamide
PubChem CID118232046
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-(3-methylphenyl)-N-methylsulfonylacetamide
SMILESCc1cccc(CC(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C10H13NO3S/c1-8-4-3-5-9(6-8)7-10(12)11-15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyODWDKRMVXCITKR-UHFFFAOYSA-N
XLogP0.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-methylsulfonylacetamide?
The IUPAC name of 2-(3-methylphenyl)-N-methylsulfonylacetamide (CID 118232046) is 2-(3-methylphenyl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-methylsulfonylacetamide is Cc1cccc(CC(=O)NS(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-methylsulfonylacetamide?
The InChIKey is ODWDKRMVXCITKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-4-3-5-9(6-8)7-10(12)11-15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-methylphenyl)-N-methylsulfonylacetamide?
2-(3-methylphenyl)-N-methylsulfonylacetamide has a molecular weight of 227.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-methylsulfonylacetamide is sourced from PubChem (CID 118232046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).