2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide

C₁₆H₁₄N₂O₂SCAS 73250-68-7298.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₄N₂O₂S
Molar mass: 298.36 g/mol
Exact mass: 298.0776 Da
Melting point: 134.8 °C
logP: 3.34Crippen estimate
Polar surface area: 42.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-139-00-X), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

73250-68-7

SMILES

CN(C(=O)COc1nc2ccccc2s1)c1ccccc1

InChIKey

XIGAUIHYSDTJHW-UHFFFAOYSA-N

InChI

InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Acetamide, 2-(2-benzothiazolyloxy)-N-methyl-N-phenyl-
FOE 1976
Mefenacet
NTN 801
Rancho
BTMPA
2-(Benzo[d]thiazol-2-yloxy)-N-methyl-N-phenylacetamide

Work with 2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide

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-Chloro-N-methyl-N-phenylacetamide2620-05-548 % similar 2-Acetylbenzothiazole1629-78-339 % similar Benzothiazole-2-carbonyl chloride67748-61-239 % similar Centralite II611-92-739 % similar Ethyl methyl(phenyl)carbamate2621-79-638 % similar N-Methylacetanilide579-10-237 % similar 2-(Chloromethyl)benzothiazole37859-43-135 % similar 2-(2-Benzothiazolylthio)acetic acid6295-57-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook