60324098 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 16 9 8 8 8 8 7 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 2 3 3 4 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 16 16 17 17 18 19 19 20 20 21 22 23 23 24 25 25 25 5 6 20 25 22 8 12 15 15 19 37 9 10 26 11 27 28 11 29 30 31 32 13 14 15 16 17 33 18 34 18 35 36 21 22 21 23 38 24 24 39 40 41 42 43 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 2 1 1 1 2 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 2.866 6.3301 5.4641 2.866 3.366 2.366 4.5981 6.3301 7.296 6.589 7.5549 4.5981 3.732 4.5981 3.732 2.866 3.732 2.866 4.5981 3.732 3.732 5.4641 4.5981 5.4641 2 6.411 7.1356 7.8949 6.7494 5.9901 8.1538 7.7153 5.135 2.3291 3.732 2.3291 5.135 3.1951 4.5981 6.001 1.69 1.4631 2.31 -2.817 -0.817 1.683 0.183 -3.683 -1.951 0.183 2.183 1.9242 3.1489 2.8901 2.183 1.683 3.183 0.683 2.183 3.683 3.183 -0.817 -2.317 -1.317 -1.317 -2.817 -2.317 -3.317 1.5683 1.3253 1.7637 3.7478 3.3094 2.7296 3.489 3.493 1.873 4.303 3.493 0.493 -1.007 -3.437 -2.627 -2.78 -3.627 -3.8539 8 8 8 8 8 8 8 8 8 8 8 8 12 12 13 14 16 17 19 19 20 20 22 23 13 14 16 17 18 18 21 22 21 23 24 24 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 572 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A3900400000000000000000000000600000000000306000000000000000014000001F04100000000C1CA1D80AB2C782C0040A880225525070C20800252A10088819066CC80C2636E4B59B86396CE6F411C8E98798C8208E00000000200800000000000040100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclobutoxy)-N-(2-fluoro-5-methylsulfonyl-phenyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-N-(2-fluoro-5-methylsulfonylphenyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-<I>N</I>-(2-fluoro-5-methylsulfonylphenyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-N-(2-fluoro-5-methylsulfonylphenyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-N-(2-fluoranyl-5-methylsulfonyl-phenyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclobutoxy)-N-(2-fluoro-5-mesyl-phenyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H18FNO4S/c1-25(22,23)13-9-10-15(19)16(11-13)20-18(21)14-7-2-3-8-17(14)24-12-5-4-6-12/h2-3,7-12H,4-6H2,1H3,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ORASVHVDKDNRGX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 363.09405739 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H18FNO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 363.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2OC3CCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2OC3CCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 363.09405739 25 0 0 0 0 0 0 0 1 -1