chempirical

Modafinil

C15H15NO2SCAS 68693-11-8273.35 g/mol

Open in Covalent MOL file
NH2OSO
Sulfoxide

Properties

Molecular formula
C15H15NO2S
Molar mass
273.35 g/mol
Exact mass
273.0823 Da
Melting point
164–166 °C
logP
3.06Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
68693-11-8
SMILES
N=C(O)CS(=O)C(c1ccccc1)c1ccccc1
InChIKey
YFGHCGITMMYXAQ-UHFFFAOYSA-N
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)

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Names and synonyms

13 names · show all
  • Acetamide, 2-[(diphenylmethyl)sulfinyl]-
  • 2-[(Diphenylmethyl)sulfinyl]acetamide
  • 2-(Benzhydrylsulfinyl)acetamide
  • CRL 40476
  • CEP 1538
  • Modiodal
  • (±)-Modafinil
  • Provigil
  • CRC 40476
  • DEP 1538
  • Modaphonil
  • 2-Diphenylmethanesulfinylacetamide
  • 2-(Diphenyl-methanesulfinyl)-acetamide

Work with Modafinil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[[Bis(4-fluorophenyl)methyl]sulfinyl]acetamide90280-13-070 % similar (R)-(-)-Modafinil acid112111-45-264 % similar Adrafinil63547-13-759 % similar 2-[(Diphenylmethyl)thio]acetamide68524-30-147 % similar Benzeneacetamide103-81-142 % similar 2-[[Bis(4-fluorophenyl)methyl]sulfinyl]-N-hydroxyacetamide90212-80-941 % similar Phenoxyacetamide621-88-538 % similar Mandelamide4410-31-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook