2-(1-Benzothiophen-4-Yl)-N-Methyl-N-[(1R,2R)-2-(1-Pyrrolidinyl)Cyclohexyl]Acetamide

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Properties Simple | Detailed

Formula C21H28N2OS
IUPAC Name 2-(benzothiophen-4-yl)-n-methyl-n-[(1r,2r)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular Mass 356.525 g·mol−1
Heat of Formation -96.4 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 450.03 Å 3
Surface Area 363.98 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-benzothiophen-4-yl)-n-methyl-n-[(1r,2r)-2-pyrrolidin-1-ylcyclohexyl]acetamide
  • 2-(1-benzothiophen-4-yl)-n-methyl-n-[(1r,2r)-2-pyrrolidin-1-ylcyclohexyl]ethanamide
  • 2-(4-benzothiophenyl)-n-methyl-n-[(1r,2r)-2-1-pyrrolidinylcyclohexyl]acetamide
  • 2-(benzothiophen-4-yl)-n-methyl-n-[(1r,2r)-2-pyrrolidin-1-ylcyclohexyl]acetamide
  • benzo(b)thiophene-4-acetamide, n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-(+-)-
  • pd 117302
  • trans-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl-)benzo-(b)-thiophene-4-acetamide
CAS Number(s)
  • 111728-01-9
InChIKey SYHJZCCNQDFHJQ-RTBURBONSA-N
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