Ethyl 2-benzamido-2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoropropanoate
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Basic information
- CAS
352317-35-2- Standard SMILES
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F- InChIKey
WJVYYAIXJODQGY-UHFFFAOYSA-N- Molecular formula
- C20H20F3N3O3S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.11774717
Names & identifiers
- Preferred name
- Ethyl 2-benzamido-2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoropropanoate
- IUPAC
- ethyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate
- English name
- ethyl 2-(benzoylamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate
- Molecular formula
- C20H20F3N3O3S
- Molecular weight
- 439.45
Names & synonyms
352317-35-2ethyl 2-(benzoylamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoateethyl 2-benzamido-2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoropropanoateethyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoateSTK763519AKOS001626398AKOS021993722UNM000000574601AG-389/14050033SR-01000452462SR-01000452462-1ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(phenylcarbonyl)amino]alaninate
Show more names
Alanine, 2-(benzoylamino)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3,3,3-trifluoro-, ethyl ester
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Boiling point
- 619.5 · 619.5±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.46(Predicted)
Related reactions
0 records
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Compound notes
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