2-(4-ethylsulfonylphenyl)acetamide

C10H13NO3S — CID 82494716

IUPAC2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(N)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyCNRLIULTVMCMSV-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-ethylsulfonylphenyl)acetamide

2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 82494716) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)acetamide
PubChem CID82494716
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(N)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyCNRLIULTVMCMSV-UHFFFAOYSA-N
XLogP0.51
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)acetamide (CID 82494716) is 2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is CNRLIULTVMCMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H2,11,12).
What are the key properties of 2-(4-ethylsulfonylphenyl)acetamide?
2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 227.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 82494716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).