1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone

C15H15NO2S — CID 104613424

IUPAC1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
SMILESCOc1ccccc1Sc1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C15H15NO2S/c1-10(17)12-9-11(7-8-13(12)16)19-15-6-4-3-5-14(15)18-2/h3-9H,16H2,1-2H3
InChIKeyCHWJKFHKVROIHK-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone

1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone (PubChem CID 104613424) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
PubChem CID104613424
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
SMILESCOc1ccccc1Sc1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C15H15NO2S/c1-10(17)12-9-11(7-8-13(12)16)19-15-6-4-3-5-14(15)18-2/h3-9H,16H2,1-2H3
InChIKeyCHWJKFHKVROIHK-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone 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

4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
1-[5-(2-methoxyphenyl)sulfanyl-2-nitrophenyl]ethanone
CID 104613928
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
CID 142809517
1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 10107352
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 61296725
1-[2-amino-4-(2-methylphenyl)sulfanylphenyl]ethanone
CID 104529441
2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107279854
2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 76981642
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
1-[2-amino-5-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 104613341
3-[2-amino-4-(2-methoxyphenyl)sulfanylanilino]-5,5-dimethylcyclohex-2-en-1-one
CID 11089930

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone (CID 104613424) is 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone is COc1ccccc1Sc1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone?
The InChIKey is CHWJKFHKVROIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10(17)12-9-11(7-8-13(12)16)19-15-6-4-3-5-14(15)18-2/h3-9H,16H2,1-2H3.
What are the key properties of 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone?
1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone has a molecular weight of 273.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 104613424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).