2-Amino-3-benzoyl-alpha-(methylthio)benzeneacetamide

C₁₆H₁₆N₂O₂SCAS 78281-61-5300.38 g/mol

Open in Covalent MOL file

Amide Ketone Primary amine Sulfide

Properties

Molecular formula: C₁₆H₁₆N₂O₂S
Molar mass: 300.38 g/mol
Exact mass: 300.0932 Da
logP: 2.39Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

78281-61-5

SMILES

CSC(C1=C(C(=CC=C1)C(=O)C2=CC=CC=C2)N)C(=O)N

InChIKey

FPRGALQPEHLMNK-UHFFFAOYSA-N

InChI

InChI=1S/C16H16N2O2S/c1-21-15(16(18)20)12-9-5-8-11(13(12)17)14(19)10-6-3-2-4-7-10/h2-9,15H,17H2,1H3,(H2,18,20)

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Names and synonyms

1 names

2-(2-Amino-3-benzoylphenyl)-2-(methylsulfanyl)acetamide

Work with 2-Amino-3-benzoyl-alpha-(methylthio)benzeneacetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminobenzophenone2835-77-041 % similar Nepafenac78281-72-841 % similar 1,2-Dibenzoylbenzene1159-86-040 % similar Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)61618-27-738 % similar 2-Methylbenzophenone131-58-838 % similar 2-Chlorobenzophenone5162-03-838 % similar 1-Benzoylnaphthalene642-29-538 % similar 2-Bromobenzophenone13047-06-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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