N-[(2,6-Dimethyl-4-{[(2-Methylphenyl)Acetyl]Amino}Phenyl)Sulfonyl]Glycine

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Properties Simple | Detailed

Formula C19H22N2O5S
IUPAC Name 2-[[2,6-dimethyl-4-[[2-(o-tolyl)acetyl]amino]phenyl]sulfonylamino]acetic acid
Molecular Mass 390.453 g·mol−1
Heat of Formation -818.0 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 447.42 Å 3
Surface Area 390.24 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2,6-dimethyl-4-[2-(2-methylphenyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid
  • 2-[[2,6-dimethyl-4-[[2-(2-methylphenyl)-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid
  • 2-[[2,6-dimethyl-4-[[2-(2-methylphenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid
  • [2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine
  • inhibitor idd 384
InChIKey CJKKMQCZOLCXAM-UHFFFAOYSA-N
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