IUPAC name
2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
SMILES
CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1
Compound class
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers;
Therapeutic area
Used as eye drops to inhibit the miosis (pupil constriction) that may occur during ocular surgery.
Common name
Suprofen
IUPAC name
2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
SMILES
CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1
INCHI
InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
FORMULA
C14H12O3S
Common name
Suprofen
IUPAC name
2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
Molecular weight
260.308
clogP
3.987
clogS
-2.885
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
82.61
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00660 | thiophene |
|
s1cccc1 | 0.0076 |
| FDBF01007 | benzaldehyde |
|
c1(ccccc1)C=O | 0.0086 |
| FDBF01292 | (2R)-2-phenylpropanoic acid |
|
c1(ccccc1)C(C)C(=O)O | 0.0014 |
| FDBF01950 | thiophene-2-carbaldehyde |
|
O=Cc1sccc1 | 0.0010 |
| FDBF01951 | (2R)-2-(4-formylphenyl)propanoic acid |
|
O=Cc1ccc(cc1)C(C)C(=O)O | 0.0003 |
