22518156 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 16 16 8 8 8 8 7 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 2 2 5 5 6 7 7 8 8 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 17 19 20 20 20 21 21 21 23 24 25 25 26 26 27 3 4 7 18 18 22 24 27 23 11 12 9 18 22 22 23 42 13 14 17 28 29 15 20 19 30 16 31 19 21 32 33 34 35 36 37 38 39 40 41 24 25 26 43 27 44 45 2 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 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 4.5981 5.5686 4.0981 5.0981 9.3329 8.5358 3.732 6.3776 7.0468 6.9535 3.732 2.866 2.866 4.5981 2.866 3.732 2.866 5.4641 4.5981 2 3.732 6.5468 7.948 8.3548 7.8548 8.5239 9.4374 2.2554 2.654 5.135 2.3291 3.486 2.866 2.246 5.135 2.31 1.4631 1.69 3.112 3.732 4.352 6.5891 7.2382 8.395 9.9744 -0.3716 1.1229 0.4944 -1.2376 3.4704 1.5399 -0.8716 -0.2783 0.4648 2.2444 -1.8716 -0.3716 -2.3716 -2.3716 -3.3716 -3.8716 0.6284 0.1284 -3.3716 -1.8716 -4.8716 1.3308 2.3489 3.2624 4.1285 4.8716 4.4649 -0.264 -0.9542 -2.0616 -3.6816 0.6284 1.2484 0.6284 -3.6816 -1.3347 -1.5616 -2.4086 -4.8716 -5.4916 -4.8716 2.746 4.1933 5.4781 4.7749 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 8 8 9 11 11 13 14 15 16 24 25 26 18 22 24 27 9 18 22 13 14 15 19 16 19 25 26 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 627 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB80060000000000000000000000000016240000030000000000000000001F000001E04184000000C0CE1980633D482C0044AAE02AD52F0729A09026522090D8801CE6CC88E2632C4BDBF873928F4C113D8E9879897420E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-[(2,4-dimethylphenyl)-ethyl-sulfamoyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-[(2,4-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-[(2,4-dimethylphenyl)-ethyl-sulfamoyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-[(2,4-dimethylphenyl)-ethyl-sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H18N4O4S2/c1-4-21(13-8-7-11(2)10-12(13)3)27(23,24)17-20-19-16(26-17)18-15(22)14-6-5-9-25-14/h5-10H,4H2,1-3H3,(H,18,19,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VFIXBSQUAVVLIT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.07694742 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H18N4O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C1=C(C=C(C=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C1=C(C=C(C=C1)C)C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 142 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.07694742 27 0 0 0 0 0 0 0 1 -1