60323732 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 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 1 2 2 3 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 16 16 17 18 18 19 19 20 20 21 21 22 23 24 24 24 4 5 19 24 7 11 15 15 18 36 8 9 25 10 26 27 10 28 29 30 31 12 13 14 15 16 32 17 33 17 34 35 20 21 22 23 22 37 23 38 39 40 41 42 43 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 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 3.732 4.5981 2 4.732 2.732 3.732 5.4641 5.7229 6.43 6.6888 3.732 2.866 3.732 2 2.866 2.866 2 3.732 3.732 4.5981 2.866 4.5981 2.866 3.732 4.9722 5.1241 5.8834 7.0289 6.2696 6.8493 7.2877 4.269 1.4631 2.866 1.4631 4.269 5.135 2.3291 5.135 2.3291 4.352 3.732 3.112 3.25 -2.25 -0.75 3.25 3.25 -0.75 -2.75 -3.7159 -2.4912 -3.4571 -2.75 -2.25 -3.75 -2.75 -1.25 -4.25 -3.75 0.25 2.25 0.75 0.75 1.75 1.75 4.25 -3.1274 -3.8764 -4.3148 -2.3307 -1.8923 -4.056 -3.2966 -4.06 -2.44 -4.87 -4.06 -1.06 0.44 0.44 2.06 2.06 4.25 4.87 4.25 8 8 8 8 8 8 8 8 8 8 8 8 11 11 12 13 14 16 18 18 19 19 20 21 12 13 14 16 17 17 20 21 22 23 22 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 530 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07A3800400000000000000000000000600000000000306000000000000000014000001E04100000000C1CA1D802B2C782C0040A880225525070C20800252A10088819066CC80C2636E4B59B863968E6F411C8E98798C8208E00040000000800000008000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclobutoxy)-N-(4-methylsulfonylphenyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-N-(4-methylsulfonylphenyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-<I>N</I>-(4-methylsulfonylphenyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-N-(4-methylsulfonylphenyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclobutyloxy-N-(4-methylsulfonylphenyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(cyclobutoxy)-N-(4-mesylphenyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H19NO4S/c1-24(21,22)15-11-9-13(10-12-15)19-18(20)16-7-2-3-8-17(16)23-14-5-4-6-14/h2-3,7-12,14H,4-6H2,1H3,(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PQHOMDAEAVHZJB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.10347926 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H19NO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)(=O)C1=CC=C(C=C1)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)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 2021.05.07 345.10347926 24 0 0 0 0 0 0 0 1 -1