N-Benzyl-2-[(4-Morpholinylacetyl)Amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

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Properties Simple | Detailed

Formula C22H27N3O3S
IUPAC Name n-benzyl-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
Molecular Mass 413.533 g·mol−1
Heat of Formation -350.8 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 486.1 Å 3
Surface Area 431.72 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-morpholin-4-ylethanoylamino)-n-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • 2-[(2-morpholin-4-ylacetyl)amino]-n-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • 2-[(2-morpholino-1-oxoethyl)amino]-n-(phenylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 2-[(2-morpholinoacetyl)amino]-n-(phenylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • n-(benzyl)-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
InChIKey JZNVWORYNPPJSO-UHFFFAOYSA-N
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