3582922 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 50 51 16 9 8 8 8 8 8 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 1 1 1 1 1 2 3 3 4 4 7 8 8 8 9 9 9 10 10 10 11 12 12 13 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 22 22 23 23 23 24 24 24 25 25 26 26 27 5 6 9 10 21 11 17 15 18 20 14 20 41 11 28 29 12 30 31 16 21 22 14 15 32 33 34 35 36 37 19 38 19 20 23 24 39 40 25 26 42 44 45 46 43 47 48 27 49 27 50 51 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 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 50 51 4.5981 2 6.2731 6.5072 4.0981 5.0981 7.5464 6.1452 5.4641 3.732 5.4641 3.732 6.3262 6.7329 6.914 4.6551 5.9641 7.095 4.9641 6.5519 2.866 4.5981 6.6883 8.0895 2.866 4.5981 3.732 5.6762 6.0747 3.52 3.1215 5.8955 5.8122 7.1636 7.2469 7.3447 7.428 4.0654 7.3472 4.5997 5.5286 5.135 8.0247 7.2547 6.4361 6.1219 8.7062 8.1544 2.3291 5.135 3.732 -3.2146 -4.7146 -1.1268 4.992 -2.3485 -4.0806 0.5288 1.5469 -2.7146 -3.7146 -1.7146 -4.7146 3.2694 2.3559 4.0784 -1.1268 -0.1757 5.801 -0.1757 0.6333 -5.2146 -5.2146 6.7146 5.6965 -6.2146 -6.2146 -6.7146 -3.2972 -2.6069 -3.1319 -3.8222 3.7154 2.9227 1.9099 2.7026 3.6324 4.4251 -1.3184 5.2346 0.3259 1.6117 -4.9046 5.0799 6.9667 7.2809 6.4624 5.6317 6.3131 -6.5245 -6.5245 -7.3346 8 8 8 8 8 8 8 8 8 8 8 3 3 11 12 12 16 17 21 22 25 26 11 17 16 21 22 19 19 25 26 27 27 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 563 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371E07A390040000000000000000000000000012000000030000000000000000001C000001F04100000000C14E5D80EB20482C0044A8802A1521072C20800242010088881CE0CC80E2632A4B53F873928E6D611B8A987989F026E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(3-isopropoxypropyl)furan-2-carboxamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(3-propan-2-yloxypropyl)-2-furancarboxamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(3-propan-2-yloxypropyl)furan-2-carboxamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(3-propan-2-yloxypropyl)furan-2-carboxamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 5-[(2-fluorobenzyl)sulfonylmethyl]-N-(3-isopropoxypropyl)-2-furamide InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C19H24FNO5S/c1-14(2)25-11-5-10-21-19(22)18-9-8-16(26-18)13-27(23,24)12-15-6-3-4-7-17(15)20/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,21,22) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 RARWDLJCBDNUQP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.04.04 2.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 397.135922 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C19H24FNO5S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 397.460963 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 CC(C)OCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=CC=C2F SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 CC(C)OCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)CC2=CC=CC=C2F Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 94 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 397.135922 27 0 0 0 0 0 0 0 1 2