Benzoic acid, 2-chloro-5-(((2-methyl-3-thienyl)carbonyl)amino)-, cyclohexyl ester
Basic information
- CAS
180034-56-4- Standard SMILES
Cc1sccc1C(=O)Nc1ccc(Cl)c(C(=O)OC2CCCCC2)c1- InChIKey
XPRLPWQIFFKISW-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3S
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.0852424
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((2-methyl-3-thienyl)carbonyl)amino)-, cyclohexyl ester
- IUPAC
- cyclohexyl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amino]benzoate
Names & synonyms
180034-56-4Benzoic acid, 2-chloro-5-(((2-methyl-3-thienyl)carbonyl)amino)-, cyclohexyl esterBenzoic acid, 2-chloro-5-[[(2-methyl-3-thienyl)carbonyl]amino]-, cyclohexyl esterDTXSID30170902cyclohexyl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amino]benzoateCyclohexyl 2-chloro-5-(2-methylthiophene-3-carboxamido)benzoate
Database identifiers
- CAS
180034-56-4- PubChem CID
- 461748
- DTXSID
DTXSID30170902
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
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Compound notes
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