IUPAC name
4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
SMILES
CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC
Compound class
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides;
Therapeutic area
Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression.
Common name
Amisulpride
IUPAC name
4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
SMILES
CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC
INCHI
InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
FORMULA
C17H27N3O4S
Common name
Amisulpride
IUPAC name
4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Molecular weight
369.479
clogP
1.272
clogS
-3.940
HBond Acceptor
5
HBond Donor
3
Total Polar Surface Area
101.73
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00322 | (dihydroxy-λ3-sulfanyl)ethane |
|
C(C)[S](O)O | 0.0055 |
| FDBF00690 | pyrrolidine |
|
N1CCCC1 | 0.0072 |
| FDBF00847 | 1-ethylpyrrolidine |
|
CCN1CCCC1 | 0.0027 |
| FDBF02312 | 4-amino-N-methyl-benzamide |
|
Nc1ccc(cc1)C(=O)NC | 0.0007 |
| FDBF02608 | 3-methoxyaniline |
|
c1(cccc(c1)OC)N | 0.0010 |
| FDBF03448 | (2S)-1-ethyl-2-methyl-pyrrolidine |
|
C(C)N1C(CCC1)C | 0.0003 |
| FDBF03449 | N-[[(2R)-pyrrolidin-2-yl]methyl]formamide |
|
C(C1NCCC1)NC=O | 0.0003 |
12 ,
2
