N-(3-methyl-5-sulfanylphenyl)acetamide

C9H11NOS — CID 59114064

IUPACN-(3-methyl-5-sulfanylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)cc(S)c1
InChIInChI=1S/C9H11NOS/c1-6-3-8(10-7(2)11)5-9(12)4-6/h3-5,12H,1-2H3,(H,10,11)
InChIKeyFPEQTIIWKDPNPH-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.24
Rot. Bonds1

About N-(3-methyl-5-sulfanylphenyl)acetamide

N-(3-methyl-5-sulfanylphenyl)acetamide (PubChem CID 59114064) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(3-methyl-5-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-5-sulfanylphenyl)acetamide
PubChem CID59114064
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-(3-methyl-5-sulfanylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)cc(S)c1
InChIInChI=1S/C9H11NOS/c1-6-3-8(10-7(2)11)5-9(12)4-6/h3-5,12H,1-2H3,(H,10,11)
InChIKeyFPEQTIIWKDPNPH-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3-methyl-5-sulfanylphenyl)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

N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
CID 129095419
N-(3-methylphenyl)acetamide
CID 10843
CID 20615968
CID 20615968
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223
N-(4-methylphenyl)acetamide
CID 7684
acetic acid;benzene-1,3,5-trithiol
CID 174608494
N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane
CID 159298128
N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide
CID 102528844
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
acetyl bromide;N-phenylacetamide
CID 175285562
N-(2,6-diacetamido-4-pyridinyl)acetamide
CID 69088952

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-sulfanylphenyl)acetamide?
The IUPAC name of N-(3-methyl-5-sulfanylphenyl)acetamide (CID 59114064) is N-(3-methyl-5-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-methyl-5-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3-methyl-5-sulfanylphenyl)acetamide is CC(=O)Nc1cc(C)cc(S)c1.
What is the InChIKey of N-(3-methyl-5-sulfanylphenyl)acetamide?
The InChIKey is FPEQTIIWKDPNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-6-3-8(10-7(2)11)5-9(12)4-6/h3-5,12H,1-2H3,(H,10,11).
What are the key properties of N-(3-methyl-5-sulfanylphenyl)acetamide?
N-(3-methyl-5-sulfanylphenyl)acetamide has a molecular weight of 181.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-sulfanylphenyl)acetamide is sourced from PubChem (CID 59114064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).