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2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 3B24kQwLn2A
InChI InChI=1S/C21H21F6N3O2S/c22-20(23,24)19(21(25,26)27,29-15(31)11-10-12-6-2-1-3-7-12)30-18-16(17(28)32)13-8-4-5-9-14(13)33-18/h1-3,6-7,30H,4-5,8-11H2,(H2,28,32)(H,29,31)
InChIKey HZFRIEZHRJKELS-UHFFFAOYSA-N
Mol Weight 493.47 g/mol
Molecular Formula C21H21F6N3O2S
Exact Mass 493.125867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79UJr4MBIad
Name 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F6N3O2S
InChI InChI=1S/C21H21F6N3O2S/c22-20(23,24)19(21(25,26)27,29-15(31)11-10-12-6-2-1-3-7-12)30-18-16(17(28)32)13-8-4-5-9-14(13)33-18/h1-3,6-7,30H,4-5,8-11H2,(H2,28,32)(H,29,31)
InChIKey HZFRIEZHRJKELS-UHFFFAOYSA-N
Molecular Weight 493.468 g/mol
SMILES N(c1c(C(=O)N)c2CCCCc2s1)C(C(F)(F)F)(C(F)(F)F)NC(=O)CCc1ccccc1
SPLASH splash10-0kbg-9820000000-c91a82adead00f699861
Synonyms 2-[[1,1,1,3,3,3-hexafluoro-2-[(1-oxo-3-phenylpropyl)amino]propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-phenylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-[[2,2,2-trifluoro-1-(3-phenylpropanoylamino)-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[[2,2,2-trifluoro-1-(hydrocinnamoylamino)-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
Wiley ID 1464312