44015467 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 16 8 8 8 7 7 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 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 16 16 17 17 18 18 18 19 19 20 20 21 22 23 23 24 24 25 25 26 2 3 5 14 15 8 11 15 18 38 22 25 9 13 27 10 28 29 12 30 31 12 32 33 34 35 15 36 37 16 17 19 39 20 40 22 41 42 21 43 21 44 45 23 24 46 26 47 26 48 49 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 8 5 9 13 27 3 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 8.9282 9.9282 7.9282 6.3301 8.9282 5.4641 3.732 8.0622 8.0622 8.9282 9.7942 9.7942 7.1962 8.9282 6.3301 8.0622 9.7942 4.5981 8.0622 9.7942 8.9282 3.732 2.866 2 2.866 2 8.0622 7.8501 7.4516 9.3267 8.5297 10.0063 10.4048 10.4048 10.0063 6.7976 7.5947 5.4641 7.5252 10.3312 4.9966 4.1996 7.5252 10.3312 8.9282 2.866 1.4631 2.866 1.4631 -0 -0 -0 2.5 1 1 -0 1.5 2.5 3 1.5 2.5 1 -1 1.5 -1.5 -1.5 1.5 -2.5 -2.5 -3 1 1.5 1 -0.5 -0 0.88 3.0826 2.3923 3.475 3.475 0.9174 1.6077 2.3923 3.0826 0.5251 0.5251 0.38 -1.19 -1.19 1.975 1.975 -2.81 -2.81 -3.62 2.12 1.31 -1.12 -0.31 8 8 3 8 8 8 8 8 8 8 8 8 8 7 7 8 14 14 16 17 19 20 22 23 24 25 22 25 13 16 17 19 20 21 21 23 24 26 26 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 555 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 00000371E07B30004000000000000000000000000000000000003C588000000000000001C000001E04104000000828C1D6043C8192C81002A80135775470C2803031022008D8B93864980860FAC0D191942008609600C8C8071888008000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(benzenesulfonyl)-2-piperidyl]-N-(2-pyridylmethyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(benzenesulfonyl)-2-piperidinyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(benzenesulfonyl)piperidin-2-yl]-<I>N</I>-(pyridin-2-ylmethyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[1-(phenylsulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(1-besyl-2-piperidyl)-N-(2-pyridylmethyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H23N3O3S/c23-19(21-15-16-8-4-6-12-20-16)14-17-9-5-7-13-22(17)26(24,25)18-10-2-1-3-11-18/h1-4,6,8,10-12,17H,5,7,9,13-15H2,(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BTBFJZFWVCPAHC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.14601278 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H23N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCN(C(C1)CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCN(C(C1)CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.14601278 26 1 0 1 0 0 0 0 1 -1