60465846 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 52 16 8 8 8 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 1 1 1 1 1 1 1 1 1 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 15 16 16 16 18 18 19 19 20 20 21 21 21 22 22 23 23 24 24 24 25 26 26 26 2 3 5 7 17 8 16 17 18 40 11 12 17 27 28 10 13 14 15 29 30 13 31 14 32 33 34 21 35 36 37 38 39 19 22 20 24 23 26 41 42 43 25 44 25 45 46 47 48 49 50 51 52 2 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 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 51 52 5.4641 6.4641 4.4641 5.4641 5.4641 3.732 5.4641 4.5981 5.4641 5.4641 6.3301 4.5981 6.3301 4.5981 6.3301 6.3301 4.5981 3.732 2.866 2.866 6.3301 4.5981 3.732 2 4.5981 2 4.386 3.9875 5.252 4.8535 6.8671 4.0611 6.8671 4.0611 6.5422 6.9407 6.0201 6.8671 6.6401 3.1951 6.9501 6.3301 5.7101 5.135 3.732 2.31 1.4631 1.69 5.135 1.69 1.4631 2.31 0.25 0.25 0.25 -2.75 -0.75 -2.75 1.25 -1.25 3.25 4.25 1.75 1.75 2.75 2.75 4.75 -1.25 -2.25 -3.75 -4.25 -5.25 5.75 -4.25 -5.75 -3.75 -5.25 -5.75 -0.6674 -1.3577 4.8326 4.1423 1.44 1.44 3.06 3.06 4.1674 4.8577 -1.7869 -1.56 -0.7131 -2.44 5.75 6.37 5.75 -3.94 -6.37 -3.2131 -3.44 -4.2869 -5.56 -5.2131 -6.06 -6.2869 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 9 11 12 18 18 19 20 22 23 11 12 13 14 13 14 19 22 20 23 25 25 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 550 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000400000000000000000000000000000000000306000000000000000014000001E04104000000C08C1D80432C182C00002880225525070C20010210200088818886488086022C091B1942008609400C8C8071080800E90000040001200002000008000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2,3-dimethylphenyl)-2-[methyl-(4-propylphenyl)sulfonyl-amino]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2,3-dimethylphenyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2,3-dimethylphenyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2,3-dimethylphenyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2,3-dimethylphenyl)-2-[methyl-(4-propylphenyl)sulfonyl-amino]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2,3-dimethylphenyl)-2-[methyl-(4-propylphenyl)sulfonyl-amino]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H26N2O3S/c1-5-7-17-10-12-18(13-11-17)26(24,25)22(4)14-20(23)21-19-9-6-8-15(2)16(19)3/h6,8-13H,5,7,14H2,1-4H3,(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JGUNYLDWVJWULH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.16641387 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H26N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC(=C2C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC(=C2C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.16641387 26 0 0 0 0 0 0 0 1 -1