45912128 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 7 6 6 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 4 5 5 6 6 6 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 14 14 15 16 17 17 18 18 19 19 19 19 21 21 22 22 23 23 24 25 25 26 27 27 28 29 29 29 2 3 5 9 20 8 11 14 20 41 26 28 10 30 31 12 13 17 18 32 33 34 15 35 16 36 15 16 37 38 21 39 22 40 20 23 42 43 24 44 24 45 25 26 46 27 47 48 28 49 29 50 51 52 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 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 6.3301 7.3301 5.3301 4.5981 6.3301 6.3301 3.732 7.1962 6.3301 7.1962 5.4641 7.1962 5.4641 6.3301 7.1962 5.4641 6.3301 8.0622 5.4641 5.4641 6.3301 8.0622 4.5981 7.1962 3.732 4.5981 2.866 2.866 2 7.4082 7.8067 5.7741 4.9272 5.1541 7.7331 4.9272 7.7331 4.9272 5.7932 8.5991 6.8671 5.6762 6.0747 5.7932 8.5991 7.1962 3.732 5.135 2.3291 1.69 1.4631 2.31 1.5 1.5 1.5 -2.5 2.5 -2.5 -6 3 0.5 4 3 -0 -0 -1.5 -1 -1 4.5 4.5 -4 -3 5.5 5.5 -4.5 6 -4 -5.5 -4.5 -5.5 -6 2.4174 3.1077 3.5369 3.31 2.4631 0.31 0.31 -1.31 -1.31 4.19 4.19 -2.81 -4.5826 -3.8923 5.81 5.81 6.62 -3.38 -5.81 -4.19 -5.4631 -6.31 -6.5369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 9 10 10 12 13 14 14 17 18 21 22 23 23 25 27 26 28 12 13 17 18 15 16 15 16 21 22 24 24 25 26 27 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 620 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DE043EC192C81002A80335775470C2803031022008D8393864980820F2C09591842008609400C8C8071C88008E00040000000000000008000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-methyl-3-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-(6-methyl-3-pyridinyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-methylpyridin-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-methylpyridin-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-(6-methylpyridin-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-methyl-3-pyridyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H23N3O3S/c1-17-8-9-19(15-23-17)14-22(26)24-20-10-12-21(13-11-20)29(27,28)25(2)16-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FSIUSSOYTUDMIJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.14601278 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H23N3O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 87.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.14601278 29 0 0 0 0 0 0 0 1 -1