modafinil   Click here for help

GtoPdb Ligand ID: 7555

Synonyms: Provigil®
Approved drug
modafinil is an approved drug (FDA (1998))
Compound class: Synthetic organic
Comment: Modafinil is a eugeroic (wakefulness-promoting) drug with a multi-faceted mechanism of action. In some jurisdictions this drug is classified as a controlled substance due to its possible addiction potential. It has been termed a 'smart' drug, a group of prescription medications, purchased illegally or used off-label, with alleged cognition-enhancing properties [1,4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.37
Molecular weight 273.08
XLogP 0.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Isomeric SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChI Key YFGHCGITMMYXAQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998))
IUPAC Name Click here for help
2-[di(phenyl)methylsulfinyl]acetamide
International Nonproprietary Names Click here for help
INN number INN
6055 modafinil
Synonyms Click here for help
Provigil®
Database Links Click here for help
ChEMBL Ligand CHEMBL1373
DrugBank Ligand DB00745
DrugCentral Ligand 1826
GtoPdb PubChem SID 223365891
PubChem CID 4236
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Wikipedia Modafinil

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Tocris
Modafinil
Cat. No. 1811