2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide

C15H16N2O2S — CID 61034938

IUPAC2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1cccc(N)c1
InChIInChI=1S/C15H16N2O2S/c1-20-14-8-3-2-7-13(14)17-15(18)10-19-12-6-4-5-11(16)9-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyGQGWUMJPONOZBX-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.01
Rot. Bonds5

About 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide

2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 61034938) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID61034938
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1cccc(N)c1
InChIInChI=1S/C15H16N2O2S/c1-20-14-8-3-2-7-13(14)17-15(18)10-19-12-6-4-5-11(16)9-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyGQGWUMJPONOZBX-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-N-(2-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

N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905852
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
CID 61035585

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide (CID 61034938) is 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is GQGWUMJPONOZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-20-14-8-3-2-7-13(14)17-15(18)10-19-12-6-4-5-11(16)9-12/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 61034938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).