C117H99F9N18O18S9 — CID 159545298
N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide (PubChem CID 159545298) has the molecular formula C117H99F9N18O18S9 and a molecular weight of 2504.77 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide.
| Compound Name | N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 159545298 |
| Molecular Formula | C117H99F9N18O18S9 |
| Molecular Weight | 2504.77 g/mol |
| Exact Mass | 2502.47 |
| IUPAC Name | N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide |
| SMILES | CCc1c(C(F)(F)F)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)oc(OC(=O)c2ccco2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)sc(OC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(OC(=O)c2cccs2)c1C#N |
| InChI | InChI=1S/C13H10F3N3OS.C13H9F3N2O3.C13H9F3N2OS2.C13H13N3OS.C13H12N2O3.C13H12N2O2S.C13H12N2OS2.C13H11NO4.C13H11NO2S2/c1-2-7-8(6-17)12(21-10(7)13(14,15)16)19-11(20)9-4-3-5-18-9;2*1-2-7-8(6-17)12(21-10(7)13(14,15)16)18-11(19)9-4-3-5-20-9;1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)18-13(10(9)7-14)17-12(16)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)17-13(10(9)7-14)18-12(15)11-5-4-6-16-11;1-3-9-8(2)18-13(10(9)7-14)16-12(15)11-5-4-6-17-11/h3-5,18H,2H2,1H3,(H,19,20);2*3-5H,2H2,1H3,(H,18,19);4-6,15H,3H2,1-2H3,(H,16,17);4-6H,3H2,1-2H3,(H,15,16);4-6,15H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,15,16);2*4-6H,3H2,1-2H3 |
| InChIKey | MESNIXHEULHVBW-UHFFFAOYSA-N |
| XLogP | 31.26 |
| TPSA | 593.82 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2504.77 |
| LogP ≤ 5 | 31.26 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 36 |