2-[(2-Fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
Basic information
- CAS
5886-71-5- Standard SMILES
Cc1ccc(-c2csc(NC(=O)c3ccccc3F)c2C(=O)O)cc1- InChIKey
IWFUQJPZKSSGRJ-UHFFFAOYSA-N- Molecular formula
- C19H14FNO3S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.06784264
Names & identifiers
- Preferred name
- 2-[(2-Fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
- IUPAC
- 2-[(2-fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
Names & synonyms
2-[(2-fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid5886-71-52-[(2-fluorobenzoyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acidCBMicro_036048MLS001173398CHEMBL1533931DTXSID20361983REGID_for_CID_1353136HMS2877J08STK744759AKOS003670764SMR000538952
Show more names
BIM-0035986.P001AE-848/121231312-(2-fluorobenzamido)-4-(p-tolyl)thiophene-3-carboxylic acid2-(2-FLUOROBENZAMIDO)-4-(4-METHYLPHENYL)THIOPHENE-3-CARBOXYLIC ACID2-{[(2-fluorophenyl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylic acid
Database identifiers
- CAS
5886-71-5- PubChem CID
- 1353136
- DTXSID
DTXSID20361983- ChEMBL
CHEMBL1533931
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
Solubility>53.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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