chempirical

N-[(4-Methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]acetamide

C22H20N2O5SCAS 173529-46-9424.47 g/mol

Open in Covalent MOL file
OSOONON+O−
AlkeneAmideEtherSulfonamide

Properties

Molecular formula
C22H20N2O5S
Molar mass
424.47 g/mol
Exact mass
424.1093 Da
logP
3.24Crippen estimate
Polar surface area
90.6 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
173529-46-9
SMILES
COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1
InChIKey
OCKHRKSTDPOHEN-BQYQJAHWSA-N
InChI
InChI=1S/C22H20N2O5S/c1-17(25)24(30(27,28)21-11-9-20(29-2)10-12-21)22-6-4-3-5-19(22)8-7-18-13-15-23(26)16-14-18/h3-16H,1-2H3/b8-7+

Weigh it out

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

Names and synonyms

5 names
  • Acetamide, N-[(4-methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]-
  • Acetamide, N-[(4-methoxyphenyl)sulfonyl]-N-[2-[2-(1-oxido-4-pyridinyl)ethenyl]phenyl]-, (E)-
  • (E)-4-[2-[2-[N-Acetyl-N-[(p-methoxyphenyl)sulfonyl]amino]phenyl]ethenyl]pyridine 1-oxide
  • HMN 214
  • IVX 214

Work with N-[(4-Methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]acetamide

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

Hmn 154173528-92-240 % similar N-[2-[[[3-(4-Chlorophenyl)-2-propen-1-yl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide139298-40-135 % similar 4′-Methoxychalcone959-23-935 % similar 4-Methoxypyridine N-oxide1122-96-935 % similar 4-Methoxychalcone959-33-133 % similar 4,4′-Dimethoxychalcone2373-89-930 % similar trans-3,5-Dimethoxystilbene21956-56-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook