IUPAC name
N-[4-(2-{[2-(4-methanesulfonamidophenyl)ethyl](methyl)amino}ethoxy)phenyl]methanesulfonamide
SMILES
CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1
Compound class
Anti-Arrhythmia Agents; Potassium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP3A4 Inhibitors;
Therapeutic area
For the maintenance of normal sinus rhythm (delay in time to recurrence of atrial fibrillation/atrial flutter [AF/AFl]) in patients with atrial fibrillation/atrial flutter of greater than one week duration who have been converted to normal sinus rhythm.
Common name
Dofetilide
IUPAC name
N-[4-(2-{[2-(4-methanesulfonamidophenyl)ethyl](methyl)amino}ethoxy)phenyl]methanesulfonamide
SMILES
CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1
INCHI
InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
FORMULA
C19H27N3O5S2
Common name
Dofetilide
IUPAC name
N-[4-(2-{[2-(4-methanesulfonamidophenyl)ethyl](methyl)amino}ethoxy)phenyl]methanesulfonamide
Molecular weight
441.565
clogP
0.876
clogS
-5.399
HBond Acceptor
6
HBond Donor
2
Total Polar Surface Area
104.81
Number of Rings
2
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00281 | ethoxybenzene |
|
O(c1ccccc1)CC | 0.0175 |
| FDBF00288 | N-(4-methoxyphenyl)methanesulfonamide |
|
COc1ccc(cc1)NS(=O)(=O)C | 0.0003 |
| FDBF00290 | N-methyl-2-phenyl-ethanamine |
|
C(Cc1ccccc1)NC | 0.0014 |
| FDBF00291 | N-(4-ethylphenyl)methanesulfonamide |
|
CCc1ccc(cc1)NS(=O)(=O)C | 0.0003 |
