56593338 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 16 9 9 9 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 8 9 10 10 10 11 11 11 12 12 13 13 13 13 14 14 15 15 16 18 18 19 19 20 21 21 21 24 25 25 26 26 27 27 28 29 29 29 30 30 30 6 7 12 22 22 22 22 24 29 17 23 14 17 36 15 23 39 16 18 15 17 31 32 16 19 33 34 35 20 37 20 38 40 23 24 25 26 27 41 28 42 28 43 44 30 45 46 47 48 49 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8.0622 8.0622 9.0622 7.0622 2.866 9.0622 7.0622 7.1962 5.4641 6.3301 4.5981 8.0622 5.4641 7.1962 5.4641 7.1962 6.3301 8.9282 8.0622 8.9282 3.732 8.0622 4.5981 2.866 3.732 2 2.866 2 2 2 5.252 4.8535 5.6762 6.0747 6.6592 5.7932 9.4651 8.0622 4.0611 9.4651 4.269 1.4631 2.866 1.4631 1.3894 1.788 2.62 2 1.38 3.5 5.5 4.5 4.5 -2.5 3.5 3.5 -1 -4 0.5 -2.5 2.5 -1 1 -2 2 -0.5 2 0.5 1 -4 4.5 -3.5 -3.5 -5 -4 -5.5 -5 -2 -1 -0.4174 -1.1077 -2.5826 -1.8923 2.31 0.81 2.31 -0.12 -2.19 0.69 -5.31 -3.69 -6.12 -5.31 -1.8923 -2.5826 -1 -0.38 -1 8 8 8 8 8 8 8 8 8 8 8 8 12 12 14 14 18 19 21 21 24 25 26 27 16 18 16 19 20 20 24 25 26 27 28 28 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 693 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3980400000000000000000000000000000000000306000000000000000014000001F04100000000C0CE1D81632C782C0040A880225525070C20800252A100888990E6CC80C263EE4F59B86396CE6F611C8E98798C8208E00000000200800000000000040100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[3-oxo-3-[3-(trifluoromethylsulfonyl)anilino]propyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[3-oxo-3-[3-(trifluoromethylsulfonyl)anilino]propyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-<I>N</I>-[3-oxo-3-[3-(trifluoromethylsulfonyl)anilino]propyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[3-oxo-3-[3-(trifluoromethylsulfonyl)anilino]propyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[3-oxidanylidene-3-[[3-(trifluoromethylsulfonyl)phenyl]amino]propyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[3-keto-3-(3-triflylanilino)propyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19F3N2O5S/c1-2-29-16-9-4-3-8-15(16)18(26)23-11-10-17(25)24-13-6-5-7-14(12-13)30(27,28)19(20,21)22/h3-9,12H,2,10-11H2,1H3,(H,23,26)(H,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DUQHXONJPUNVQL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 444.09667737 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19F3N2O5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 444.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 110 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 444.09667737 30 0 0 0 0 0 0 0 1 -1