N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide

C12H17NO2S — CID 142909549

IUPACN-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide
SMILESCCN(C)C(=O)Cc1ccc(S(C)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-4-13(2)12(14)9-10-5-7-11(8-6-10)16(3)15/h5-8H,4,9H2,1-3H3
InChIKeyYMJOPCOWEIUOCJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.44
Rot. Bonds4

About N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide

N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide (PubChem CID 142909549) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide
PubChem CID142909549
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide
SMILESCCN(C)C(=O)Cc1ccc(S(C)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-4-13(2)12(14)9-10-5-7-11(8-6-10)16(3)15/h5-8H,4,9H2,1-3H3
InChIKeyYMJOPCOWEIUOCJ-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)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 N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide (CID 142909549) is N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide is CCN(C)C(=O)Cc1ccc(S(C)=O)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide?
The InChIKey is YMJOPCOWEIUOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-4-13(2)12(14)9-10-5-7-11(8-6-10)16(3)15/h5-8H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide?
N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-methylsulfinylphenyl)acetamide is sourced from PubChem (CID 142909549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).