2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide

C15H16N2O2S — CID 142809517

IUPAC2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
SMILESCOc1ccccc1Sc1ccc(N)c(CC(N)=O)c1
InChIInChI=1S/C15H16N2O2S/c1-19-13-4-2-3-5-14(13)20-11-6-7-12(16)10(8-11)9-15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFLGPMWLJTSNKGH-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide

2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide (PubChem CID 142809517) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
PubChem CID142809517
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
SMILESCOc1ccccc1Sc1ccc(N)c(CC(N)=O)c1
InChIInChI=1S/C15H16N2O2S/c1-19-13-4-2-3-5-14(13)20-11-6-7-12(16)10(8-11)9-15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFLGPMWLJTSNKGH-UHFFFAOYSA-N
XLogP2.46
TPSA78.34 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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 104613424
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 61296725
1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 10107352
3-[2-amino-4-(2-methoxyphenyl)sulfanylanilino]-5,5-dimethylcyclohex-2-en-1-one
CID 11089930
[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
CID 3080305
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107279854
2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 76981642
1-[5-(2-methoxyphenyl)sulfanyl-2-nitrophenyl]ethanone
CID 104613928
3-fluoro-5-(2-methoxyphenyl)sulfanylaniline
CID 61298176
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide (CID 142809517) is 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide is COc1ccccc1Sc1ccc(N)c(CC(N)=O)c1.
What is the InChIKey of 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide?
The InChIKey is FLGPMWLJTSNKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-13-4-2-3-5-14(13)20-11-6-7-12(16)10(8-11)9-15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide?
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide has a molecular weight of 288.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 142809517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).