Benzoic acid, 2-chloro-5-(((2-methyl-3-thienyl)carbonyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester
Basic information
- CAS
191984-60-8- Standard SMILES
Cc1sccc1C(=O)Nc1ccc(Cl)c(C(=O)OC(C(C)C)C(C)C)c1- InChIKey
HHBNZMZRVZOMBN-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO3S
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.1165425
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((2-methyl-3-thienyl)carbonyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester
- IUPAC
- 2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amino]benzoate
- English name
- 2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amin o]benzoate
- Molecular formula
- C20H24ClNO3S
- Molecular weight
- 393.93
Names & synonyms
191984-60-8Benzoic acid, 2-chloro-5-(((2-methyl-3-thienyl)carbonyl)amino)-, 2-methyl-1-(1-methylethyl)propyl esterBenzoic acid, 2-chloro-5-[[(2-methyl-3-thienyl)carbonyl]amino]-, 2-methyl-1-(1-methylethyl)propyl ester2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amino]benzoateDTXSID301727442,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amin o]benzoate(1-isopropyl-2-methyl-propyl) 2-chloro-5-[(2-methylthiophene-3-carbonyl)amino]benzoate2,4-Dimethylpentan-3-yl 2-chloro-5-(2-methylthiophene-3-carboxamido)benzoate
Database identifiers
- CAS
191984-60-8- PubChem CID
- 461745
- DTXSID
DTXSID30172744
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 444.2 · 444.2±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 12.5 · 12.50±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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