2-(3-methylsulfanylphenyl)acetamide

C9H11NOS — CID 55254407

IUPAC2-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(CC(N)=O)c1
InChIInChI=1S/C9H11NOS/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyWSFBZODTDLLSOC-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-methylsulfanylphenyl)acetamide

2-(3-methylsulfanylphenyl)acetamide (PubChem CID 55254407) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylsulfanylphenyl)acetamide
PubChem CID55254407
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(CC(N)=O)c1
InChIInChI=1S/C9H11NOS/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyWSFBZODTDLLSOC-UHFFFAOYSA-N
XLogP1.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylsulfanylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-methylsulfanylphenyl)propan-2-one
CID 53248151
benzyl 3-(3-methylsulfanylphenyl)-2-oxopropanoate
CID 134392562
1-ethyl-3-methylsulfanylbenzene
CID 14944133
(3-methylsulfanylphenyl)methylcarbamic acid
CID 69246192
2-[3-(bromomethyl)phenyl]acetamide
CID 151051771
2-(3-bromophenyl)acetamide
CID 11736027
O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
1-benzyl-3-methylsulfanylbenzene
CID 54461240
methyl 2-(aminomethyl)-3-(3-methylsulfanylphenyl)propanoate
CID 156849132
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one
CID 159542863
ethyl 2-[(3-methylsulfanylphenyl)methylamino]-2-oxoacetate
CID 168950734
[3-(2-amino-2-oxoethyl)phenyl]methanesulfinic acid
CID 174767314

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-methylsulfanylphenyl)acetamide (CID 55254407) is 2-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-methylsulfanylphenyl)acetamide is CSc1cccc(CC(N)=O)c1.
What is the InChIKey of 2-(3-methylsulfanylphenyl)acetamide?
The InChIKey is WSFBZODTDLLSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11).
What are the key properties of 2-(3-methylsulfanylphenyl)acetamide?
2-(3-methylsulfanylphenyl)acetamide has a molecular weight of 181.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 55254407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).