60582129 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 8 8 8 7 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 1 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 15 15 16 16 17 18 18 19 20 20 20 20 22 22 22 23 23 24 24 25 26 26 27 2 3 5 14 21 9 10 11 12 13 17 21 43 25 27 11 28 29 12 30 31 32 33 34 35 36 37 38 15 16 17 39 18 40 19 19 41 42 21 22 44 45 23 46 47 24 25 26 48 49 27 50 51 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 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 7.1962 8.1962 6.1962 6.3301 7.1962 7.1962 5.4641 2.866 8.0622 6.3301 8.0622 6.3301 7.1962 7.1962 6.3301 8.0622 6.3301 8.0622 7.1962 4.5981 5.4641 4.5981 3.732 2.866 3.732 2 2 8.2742 8.6728 5.7196 6.1181 8.6728 8.2742 6.1181 5.7196 7.8162 7.1962 6.5762 5.7932 8.5991 8.5991 7.1962 4.9272 4.386 3.9875 4.8101 5.2087 2.866 4.269 1.4631 1.4631 1.75 1.75 1.75 -2.75 2.75 4.75 -1.25 -5.75 3.25 3.25 4.25 4.25 5.75 0.75 0.25 0.25 -0.75 -0.75 -1.25 -2.75 -2.25 -3.75 -4.25 -3.75 -5.25 -4.25 -5.25 2.6674 3.3577 3.3577 2.6674 4.1423 4.8326 4.8326 4.1423 5.75 6.37 5.75 0.56 0.56 -1.06 -1.87 -0.94 -2.1674 -2.8577 -4.3326 -3.6423 -3.13 -5.56 -3.94 -5.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 16 17 18 23 23 24 26 25 27 15 16 17 18 19 19 24 25 26 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 584 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 00000371E07BB0004000000000000000000000000000000000003C588000000000000001C000001E04104000000C08C1DA043EC193C81002A80235775470C2803031022008D8393864980860F2C0919194200C609400C8C8071889008E00000000200000000000000040000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(3-pyridyl)propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(3-pyridinyl)propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-3-ylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-3-ylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyridin-3-yl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(4-methylpiperazino)sulfonylphenyl]-3-(3-pyridyl)propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H24N4O3S/c1-22-10-12-23(13-11-22)27(25,26)18-6-2-5-17(14-18)21-19(24)8-7-16-4-3-9-20-15-16/h2-6,9,14-15H,7-8,10-13H2,1H3,(H,21,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MNVHOGFGKQPNEU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.15691181 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H24N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CN=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 91 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.15691181 27 0 0 0 0 0 0 0 1 -1