N-[(2R)-3-(Benzylsulfonyl)-1-Oxo-1-{[(2S)-1-{[4-(Trifluoromethoxy)Phenyl]Amino}-2-Propanyl]Amino}-2-Propanyl]-4-Morpholinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C25H31F3N4O6S
IUPAC Name n-[(1r)-1-(benzylsulfonylmethyl)-2-[[(1s)-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxo-ethyl]morpholine-4-carboxamide
Molecular Mass 572.597 g·mol−1
Heat of Formation -1526.4 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 637.73 Å 3
Surface Area 536.02 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • gnq
  • n-[(1r)-1-(benzylsulfonylmethyl)-2-keto-2-[[(1s)-1-methyl-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]amino]ethyl]morpholine-4-carboxamide
  • n-[(1r)-1-[(benzylsulfonyl)methyl]-2-{[(1s)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide
  • n-[(1r)-2-[[(1s)-1-methyl-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]amino]-2-oxo-1-(phenylmethylsulfonylmethyl)ethyl]-4-morpholinecarboxamide
  • n-[(1r)-2-[[(1s)-1-methyl-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]amino]-2-oxo-1-(phenylmethylsulfonylmethyl)ethyl]morpholine-4-carboxamide
  • n-[(2r)-1-oxo-3-(phenylmethylsulfonyl)-1-[[(2s)-1-[[4-(trifluoromethoxy)phenyl]amino]propan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide
InChIKey LIOLGHUQUQDMDF-AVRDEDQJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S