2237015 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 16 8 8 8 8 7 7 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 1 1 2 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 15 15 16 16 17 17 17 18 19 19 20 20 21 21 22 23 23 23 24 24 24 3 4 7 16 14 18 24 8 14 36 15 17 9 10 25 11 26 27 12 28 29 13 30 31 13 32 33 34 35 15 37 38 18 19 39 40 41 21 20 42 22 23 22 43 44 45 46 47 48 49 50 2 2 1 1 2 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 1 1 1 1 1 2 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 50 4.5981 4.5981 5.5981 3.5981 2.866 6.3301 4.5981 6.3301 7.1962 5.4641 7.1962 5.4641 6.3301 5.4641 5.4641 4.5981 3.732 3.732 5.4641 5.4641 3.732 4.5981 6.3301 2 6.8671 7.4082 7.8067 4.8535 5.252 7.8067 7.4082 5.252 4.8535 6.7287 5.9316 6.8671 5.6762 6.0747 4.042 3.1951 3.422 6.001 3.1951 4.5981 6.0201 6.8671 6.6401 1.69 1.4631 2.31 -1.5 1.5 -1.5 -1.5 -2.5 1.5 -0.5 2.5 3 3 4 4 4.5 1 0 -2.5 0 -3 -3 -4 -4 -4.5 -4.5 -3 2.19 2.4174 3.1077 3.1077 2.4174 3.8923 4.5826 4.5826 3.8923 4.975 4.975 1.19 -0.5826 0.1077 0.5369 0.31 -0.5369 -2.69 -4.31 -5.12 -5.0369 -4.81 -3.9631 -2.4631 -3.31 -3.5369 8 8 8 8 8 8 16 16 18 19 20 21 18 19 21 20 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 511 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800400000000000000000000000000000000000306000000000000000010000001E04104000000C2CC1D806320782C0040288022152107042081020200008889A8E08880C662284B13A94302024D61188A80790C0000E20000080000020004000010000004000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-cyclohexyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H26N2O4S/c1-13-9-10-15(23-3)16(11-13)24(21,22)19(2)12-17(20)18-14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,18,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FCVJXOUNTRJNCI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.16132849 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H26N2O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2CCCCC2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC(=O)NC2CCCCC2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 84.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.16132849 24 0 0 0 0 0 0 0 1 -1