56444046 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 16 16 9 9 8 8 8 8 7 7 7 6 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 2 2 3 4 7 8 8 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 15 16 16 17 17 18 18 19 20 20 20 23 23 24 24 25 26 27 27 28 28 29 29 30 31 5 6 9 20 22 25 31 31 21 26 31 12 15 21 22 42 22 23 13 32 33 14 34 35 15 16 17 18 36 19 37 19 21 38 39 40 41 24 25 26 27 43 28 29 44 30 45 30 46 47 48 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 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 12.1533 6.4617 3.627 2.2257 13.1038 11.2027 8.2983 3.808 11.8426 7.4323 5.6527 12.4262 11.8426 10.8964 10.8964 10.0303 10.0303 9.1643 9.1643 12.4639 8.2983 6.5662 4.9836 3.989 5.4836 3.4013 3.5823 2.4067 2.5878 2 3.2202 12.8871 12.8871 12.38 11.5916 10.0303 10.0303 8.6274 11.8746 12.6565 13.0532 7.4323 5.2314 3.9467 2.0423 2.3356 1.3834 2.968 -2.7409 1.0089 3.6914 2.6733 -2.4302 -3.0515 1.0144 1.9688 -1.7904 -0.4856 -0.3924 -0.9856 -0.1809 -0.4856 -1.4856 0.0144 -1.9856 -0.4856 -1.4856 -3.6914 0.0144 0.0144 0.3508 0.2463 1.2168 1.0553 -0.6673 0.9508 -0.7718 0.0372 2.7778 -1.4003 -0.5709 0.1283 0.386 0.6344 -2.6056 -1.7956 -3.884 -4.2807 -3.4988 -1.1056 1.7832 -1.1689 1.4523 -1.3382 -0.0276 2.2114 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 11 11 14 14 15 16 17 18 23 24 24 26 27 28 29 22 25 22 23 15 16 17 18 19 19 25 26 27 28 29 30 30 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 751 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3980600000000000000000000000000162C0000030600000000000005801D000001F04104000000C0CC5DE16B3D792C8140AAC032572747082F8A9652A390988353E6CD88C26B2E4BD9B8431286EC113C8E9A798C9E09E08000200000A00001000040000140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-1-methylsulfonyl-indoline-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-2-thiazolyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-[bis(fluoranyl)methoxy]phenyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-1-mesyl-indoline-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H17F2N3O4S2/c1-31(27,28)25-9-8-12-10-13(6-7-16(12)25)18(26)24-20-23-15(11-30-20)14-4-2-3-5-17(14)29-19(21)22/h2-7,10-11,19H,8-9H2,1H3,(H,23,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SOWLSKSCNDSIFI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 465.06285470 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H17F2N3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 465.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 125 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 465.06285470 31 0 0 0 0 0 0 0 1 -1