70680660 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 16 16 8 8 8 7 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 2 2 3 6 6 6 7 7 8 8 9 9 9 9 10 10 10 11 11 14 14 15 15 15 16 16 16 17 17 18 18 19 19 20 20 21 22 23 23 23 24 24 24 25 4 5 7 14 13 25 12 12 13 31 15 16 13 17 10 11 12 26 11 27 28 29 30 19 20 23 32 33 24 34 35 18 25 21 22 21 36 22 37 38 39 40 41 42 43 44 45 46 2 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 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 3 2.5 2.6865 4 2 4.0878 3 3.809 4.2688 4.3734 5.1824 3.681 3.5 3 2.134 3.866 3 3 2.134 3.866 2.134 3.866 2.134 3.866 2.191 3.69 3.7774 4.6452 5.6284 5.5291 4.7044 1.5234 1.9219 4.0781 4.4766 1.597 4.403 1.597 4.403 2.754 2.134 1.514 4.486 3.866 3.246 1.6013 3.2825 -2.2564 -4.0835 3.2825 3.2825 -3.0654 4.2825 -1.3053 -4.788 -5.7825 -5.1947 -3.9789 -2.2564 2.2825 4.7825 4.7825 -0.7175 0.2825 1.7825 1.7825 0.7825 0.7825 5.7825 5.7825 -1.3053 -5.0101 -5.9534 -6.3397 -5.6254 -4.6807 -3.0006 4.8901 4.1999 4.1999 4.8901 2.0925 2.0925 0.4725 0.4725 5.7825 6.4025 5.7825 5.7825 6.4025 5.7825 -1.1137 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 14 14 17 18 18 19 20 13 25 13 17 19 20 25 21 22 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 562 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 00000371E07B300060000000000000000000180000016000000030000000000000000001C000001E04104000000D08C5DE04B39192C8100AAC0325727470C2F0B9610A3909883D3824988820B2A099118420086891028888271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]cyclopropanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]-2-thiazolyl]cyclopropanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]cyclopropanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H21N3O3S2/c1-3-20(4-2)25(22,23)14-9-7-12(8-10-14)15-11-24-17(18-15)19-16(21)13-5-6-13/h7-11,13H,3-6H2,1-2H3,(H,18,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DLGMHSCZZUFASS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.10243389 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H21N3O3S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.10243389 25 0 0 0 0 0 0 0 1 -1