Common name
N-(2-ethylbenzofuran-5-yl)methanesulfonamide
IUPAC name
N-(2-ethylbenzofuran-5-yl)methanesulfonamide
SMILES
S(=O)(=O)(C)Nc1ccc2oc(cc2c1)CC
Common name
N-(2-ethylbenzofuran-5-yl)methanesulfonamide
IUPAC name
N-(2-ethylbenzofuran-5-yl)methanesulfonamide
SMILES
S(=O)(=O)(C)Nc1ccc2oc(cc2c1)CC
INCHI
InChI=1S/C11H13NO3S/c1-3-10-7-8-6-9(12-16(2,13)14)4-5-11(8)15-10/h4-7,12H,3H2,1-2H3
FORMULA
C11H13NO3S
Common name
N-(2-ethylbenzofuran-5-yl)methanesulfonamide
IUPAC name
N-(2-ethylbenzofuran-5-yl)methanesulfonamide
Molecular weight
239.291
clogP
1.670
clogS
-3.844
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
59.31
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01333 | Dronedarone |
|
Anti-Arrhythmia Agents; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mk8_ligand_3_34.mol2 | 4mk8 | 0.540541 | -6.75 | CCc1ccc(cc1)NS(=O)(=O)C | 13 |
| 2o5k_ligand_3_19.mol2 | 2o5k | 0.540541 | -6.23 | CCc1ccc(cc1)NS(=O)(=O)C | 13 |
| 3ctq_ligand_2_8.mol2 | 3ctq | 0.539474 | -7.61 | C(C)(C)(C)c1cc(ccc1)NS(=O)(=O)C | 15 |
| 3hpt_ligand_frag_4.mol2 | 3hpt | 0.486111 | -7.13 | c1ccc2c(c1)cc(o2)C | 10 |
| 3ivc_ligand_1_2.mol2 | 3ivc | 0.486111 | -6.90 | Cc1oc2ccccc2c1 | 10 |
| 1c70_ligand_1_11.mol2 | 1c70 | 0.486111 | -6.60 | Cc1oc2ccccc2c1 | 10 |
| 5bml_ligand_2_0.mol2 | 5bml | 0.48 | -6.57 | Cc1cccc(NS(=O)(=O)C)c1 | 12 |
| 4mk8_ligand_2_20.mol2 | 4mk8 | 0.479452 | -6.63 | Cc1ccc(cc1)NS(=O)(=O)C | 12 |
101 ,
11
