3-(2-Methoxy-4-{[(2-Methylphenyl)Sulfonyl]Carbamoyl}Benzyl)-1-Methyl-N-[(2R)-4,4,4-Trifluoro-2-Methylbutyl]-1H-Indole-5-Carboxamide

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Properties Simple | Detailed

Formula C31H32F3N3O5S
IUPAC Name 3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-n-[(2r)-4,4,4-trifluoro-2-methylbutyl]indole-5-carboxamide
Molecular Mass 615.663 g·mol−1
Heat of Formation -1289.2 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 698.93 Å 3
Surface Area 583.88 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-3-((2-methoxy-4-((((2-methylphenyl)sulfonyl)amino)carbonyl)phenyl)methyl)-1-methyl-n-(4,4,4-trifluoro-2-methylbutyl)-1h-indole-5-carboxamide
  • 1h-indole-5-carboxamide, 3-((2-methoxy-4-((((2-methylphenyl)sulfonyl)amino)carbonyl)phenyl)methyl)-1-methyl-n-(4,4,4-trifluoro-2-methylbutyl)-, (r)-
  • 3-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]benzyl]-1-methyl-n-[(2r)-4,4,4-trifluoro-2-methyl-butyl]indole-5-carboxamide
  • 3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-n-[(2r)-4,4,4-trifluoro-2-methyl-butyl]indole-5-carboxamide
  • 3-[[2-methoxy-4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-1-methyl-n-[(2r)-4,4,4-trifluoro-2-methylbutyl]-5-indolecarboxamide
  • 4-((5-((2-methyl-4,4,4-trifluorobutyl)carbamoyl)-1-methylindol-3-yl)methyl)-3-methoxy-n-((2-methylphenyl)sulfonyl)benzamide
  • masilukast
  • zd-3523
  • zeneca zd 3523
  • zeneca zd-3523
CAS Number(s)
  • 136564-68-6
InChIKey ULMFXAMQUGLVGA-LJQANCHMSA-N
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