chempirical

Tiapride

C15H24N2O4SCAS 51012-32-9328.43 g/mol

Open in Covalent MOL file
NNHOSOOO
EtherSulfoneTertiary amine

Properties

Molecular formula
C15H24N2O4S
Molar mass
328.43 g/mol
Exact mass
328.1457 Da
Melting point
124 °C
logP
1.75Crippen estimate
Polar surface area
79.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
8

Identifiers

CAS number
51012-32-9
SMILES
CCN(CC)CCN=C(O)c1cc(S(C)(=O)=O)ccc1OC
InChIKey
JTVPZMFULRWINT-UHFFFAOYSA-N
InChI
InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)

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Names and synonyms

6 names
  • Benzamide, N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulfonyl)-
  • N-[2-(Diethylamino)ethyl]-2-methoxy-5-(methylsulfonyl)benzamide
  • Thiapride
  • FLO 1347
  • FLC 1374
  • Tiaprizal

Work with Tiapride

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

Tiapride hydrochloride51012-33-094 % similar Metoclopramide364-62-555 % similar 2-Methoxy-5-(methylsulfonyl)benzoic acid50390-76-654 % similar Metoclopramide hydrochloride7232-21-552 % similar Methyl 2-methoxy-5-(methylsulfonyl)benzoate63484-12-851 % similar (±)-Sulpiride15676-16-151 % similar Levosulpiride23672-07-351 % similar Metoclopramide monohydrochloride monohydrate54143-57-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook