3-[Isopropyl(4-Methylbenzoyl)Amino]-5-Phenyl-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C22H21NO3S
IUPAC Name 3-[isopropyl-(4-methylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid
Molecular Mass 379.472 g·mol−1
Heat of Formation -321.2 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 455.24 Å 3
Surface Area 369.21 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(4-methylphenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid
  • 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
  • 3-[isopropyl-(4-methyl-benzoyl)-amino]-5-phenyl-thiophene-2-carboxylic acid
  • 3-[isopropyl-(4-methylbenzoyl)amino]-5-phenyl-2-thenoic acid
  • 3-[isopropyl-[(4-methylphenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid
InChIKey LRHXIDOGMBZJFN-UHFFFAOYSA-N
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