3-{[(2S)-1-Methoxy-2-Propanyl]Oxy}-5-[4-(Methylsulfonyl)Phenoxy]-N-(3-Methyl-1,2,4-Thiadiazol-5-Yl)Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23N3O6S2
IUPAC Name 3-[(1s)-2-methoxy-1-methyl-ethoxy]-5-(4-methylsulfonylphenoxy)-n-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
Molecular Mass 477.554 g·mol−1
Heat of Formation -651.3 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 532.32 Å 3
Surface Area 471.8 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-mesylphenoxy)-5-[(1s)-2-methoxy-1-methyl-ethoxy]-n-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
  • 3-[(1s)-2-methoxy-1-methyl-ethoxy]-5-(4-methylsulfonylphenoxy)-n-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
  • 3-[(1s)-2-methoxy-1-methylethoxy]-5-(4-methylsulfonylphenoxy)-n-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
  • 3-[(2s)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)-n-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
InChIKey NXWJQVBBXSGVOG-ZDUSSCGKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N