| Pubchem ID | 135287772 |
|---|---|
| CAS | 81457-95-6 |
| IUPAC name | 2-acetyl-5-(4-cyclopropylsulfonylphenyl)-N,N-dimethyl-3H-pyrrole-4-carboxamide |
| Synonyms | - |
| Categories | Antimicrobial agent |
| SMILES | CC(=O)C1=NC(=C(C1)C(=O)N(C)C)C2=CC=C(C=C2)S(=O)(=O)C3CC3 |
| InCheykey | InChI=1S/C18H20N2O4S/c1-11(21)16-10-15(18(22)20(2)3)17(19-16)12-4-6-13(7-5-12)25(23,24)14-8-9-14/h4-7,14H,8-10H2,1-3H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 360.428 | 0 | 5 | 5 | 92.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |