N-[4-({[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Amino)Butyl]-3-Sulfanylpropanamide

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Properties Simple | Detailed

Formula C19H27N3O3S2
IUPAC Name n-[4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]butyl]-3-sulfanyl-propanamide
Molecular Mass 409.566 g·mol−1
Heat of Formation -398.7 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 492.55 Å 3
Surface Area 434.15 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(5-dimethylamino-1-naphthyl)sulfonylamino]butyl]-3-mercapto-propionamide
  • n-[4-[(5-dimethylamino-1-naphthyl)sulfonylamino]butyl]-3-mercaptopropanamide
  • n-[4-[(5-dimethylamino-1-naphthyl)sulfonylamino]butyl]-3-sulfanyl-propanamide
  • n-[4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]butyl]-3-sulfanyl-propanamide
  • n-[4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]butyl]-3-sulfanylpropanamide
InChIKey XPCVYJATJSZGJU-UHFFFAOYSA-N
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