3202507 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 53 16 16 9 8 8 7 7 6 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 2 2 3 4 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 14 14 15 16 16 17 18 18 19 19 19 20 20 21 21 22 22 23 24 25 26 26 27 28 28 29 29 30 15 23 24 30 25 13 17 8 13 40 14 16 17 9 10 31 11 32 33 12 34 35 12 36 37 38 39 14 15 41 18 20 21 19 22 42 24 43 44 25 45 26 46 23 47 48 28 27 27 49 50 29 51 30 52 53 1 1 1 1 1 2 2 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 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 1 1 1 1 1 2 1 1 14 7 13 15 41 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 50 51 52 53 6.2378 3.4782 4.4487 7.9128 5.3147 8.7788 6.1808 9.6448 10.5584 9.7494 11.2275 10.7275 7.9128 7.0468 7.0468 6.1808 5.3147 7.8558 4.4487 5.3147 7.0468 7.5468 6.5468 3.5827 5.3147 7.0468 6.1808 2.6691 2 2.5 9.1249 11.06 10.2484 9.1294 9.6846 11.7291 11.6424 10.5359 11.2939 8.7788 7.0468 8.4454 4.0502 4.8472 4.7778 7.5837 7.9112 6.1823 7.5837 6.1808 2.5402 1.3834 2.2478 2.0684 1.4751 -3.0194 -1.0194 1.4806 0.4806 -0.0194 -0.0194 0.3873 -1.0139 -0.3558 -1.2219 -0.0194 0.4806 1.4806 -1.0194 0.4806 2.0684 -0.0194 -1.5194 -1.5194 3.0194 3.0194 0.4806 -2.5194 -2.5194 -3.0194 0.0738 0.817 1.683 -0.3571 0.7517 0.9243 -1.0139 -1.6306 -0.7203 0.1049 -1.8115 -1.474 1.1006 -0.1394 1.8768 -0.4944 -0.4944 -1.2094 -1.2094 3.521 3.521 -2.8294 -3.6394 -0.5326 0.7522 2.2494 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 14 15 16 16 18 20 21 22 24 25 26 28 29 15 23 24 30 13 18 20 21 22 25 26 23 28 27 27 29 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 602 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31006000000000000000000000000001A244000030000000000000000001F000001F04100000000828C5D00CB0C183C000088C0025525000830080210A10488899886488086032E095B1942008609600E8C8071808000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-2-(3-fluoro-N-[2-(2-thienyl)acetyl]anilino)-2-(2-thienyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-2-(3-fluoro-N-(1-oxo-2-thiophen-2-ylethyl)anilino)-2-thiophen-2-ylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclopentyl-2-(3-fluoro-<I>N</I>-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-2-[(3-fluorophenyl)-(2-thiophen-2-ylethanoyl)amino]-2-thiophen-2-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-2-(3-fluoro-N-[2-(2-thienyl)acetyl]anilino)-2-(2-thienyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H23FN2O2S2/c24-16-6-3-9-18(14-16)26(21(27)15-19-10-4-12-29-19)22(20-11-5-13-30-20)23(28)25-17-7-1-2-8-17/h3-6,9-14,17,22H,1-2,7-8,15H2,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GUGYJMDFXGYDGA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 442.11849849 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H23FN2O2S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 442.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC(=CC=C3)F)C(=O)CC4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC(=CC=C3)F)C(=O)CC4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 106 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 442.11849849 30 1 0 1 0 0 0 0 1 -1