2-hydroxy-N-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzamide
Basic information
- CAS
690964-41-1- Standard SMILES
CSc1ccc(/C=C/C(=O)NC(=O)c2ccccc2O)cc1- InChIKey
RJNQFQUPEYSAQY-DHZHZOJOSA-N- Molecular formula
- C17H15NO3S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.07726451
Names & identifiers
- Preferred name
- 2-hydroxy-N-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzamide
- IUPAC
- 2-hydroxy-N-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzamide
Names & synonyms
690964-41-12-hydroxy-N-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzamide2-Hydroxy-N-(3-(4-(methylthio)phenyl)acryloyl)benzamide2-hydroxy-N-{(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}benzamide2-hydroxy-N-{3-[4-(methylthio)phenyl]acryloyl}benzamideMLS000626829GNF-Pf-3501CHEMBL581910DTXSID401326475HMS2692C05STK860373AKOS003662286
Show more names
SMR000299223ST094310SR-01000255624SR-01000255624-1(E)-2-hydroxy-N-(3-(4-(methylthio)phenyl)acryloyl)benzamideN-[(2E)-3-(4-methylthiophenyl)prop-2-enoyl](2-hydroxyphenyl)carboxamide
Database identifiers
- CAS
690964-41-1- PubChem CID
- 896852
- DTXSID
DTXSID401326475- ChEMBL
CHEMBL581910
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Solubility3.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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