C251H255BrF6N36O31S7 — CID 157327365
6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1H-indol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate (PubChem CID 157327365) has the molecular formula C251H255BrF6N36O31S7 and a molecular weight of 4690.38 g/mol. Its IUPAC name is 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1H-indol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate.
| Compound Name | 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1H-indol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate |
|---|---|
| PubChem CID | 157327365 |
| Molecular Formula | C251H255BrF6N36O31S7 |
| Molecular Weight | 4690.38 g/mol |
| Exact Mass | 4685.66 |
| IUPAC Name | 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1H-indol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate |
| SMILES | CCCS(=O)(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCNC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOc1ccc(-c2c(C#N)c3ccc(Br)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(N)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NC(=O)OC(C)(C)C)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)C4CC4)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)CC)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(C)(=O)=O)cc3n2CC)cc1.CCS(=O)(=O)Nc1ccc2c(C#N)c(-c3ccc(OC(F)F)cc3)[nH]c2c1.CCn1c(-c2ccc(N(C)S(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)[nH]c2cc(OC(F)(F)F)ccc12 |
| InChI | InChI=1S/C24H27N3O3.C23H24FN3O3S.C22H24N4O2.C22H23N3O3S.C22H25N3O3S.C22H23N3O3.C21H23N3O3S.C20H21N3O3S.C19H17BrN2O.C19H14F3N3O3S.C19H19N3O.C18H15F2N3O3S/c1-6-27-21-14-17(26-23(28)30-24(3,4)5)10-13-19(21)20(15-25)22(27)16-8-11-18(12-9-16)29-7-2;1-3-27-22-14-18(30-13-12-24)8-11-20(22)21(15-25)23(27)16-4-6-17(7-5-16)26(2)31(28,29)19-9-10-19;1-4-24-22(27)25-16-9-12-18-19(14-23)21(26(5-2)20(18)13-16)15-7-10-17(11-8-15)28-6-3;1-3-25-21-13-16(24-29(26,27)18-10-11-18)7-12-19(21)20(14-23)22(25)15-5-8-17(9-6-15)28-4-2;1-4-13-29(26,27)24-17-9-12-19-20(15-23)22(25(5-2)21(19)14-17)16-7-10-18(11-8-16)28-6-3;1-4-25-20-13-16(24-22(26)28-6-3)9-12-18(20)19(14-23)21(25)15-7-10-17(11-8-15)27-5-2;1-4-24-20-13-16(23-28(25,26)6-3)9-12-18(20)19(14-22)21(24)15-7-10-17(11-8-15)27-5-2;1-4-23-19-12-15(22-27(3,24)25)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)26-5-2;1-3-22-18-11-14(20)7-10-16(18)17(12-21)19(22)13-5-8-15(9-6-13)23-4-2;20-19(21,22)28-14-6-7-15-16(11-23)18(24-17(15)10-14)12-2-4-13(5-3-12)25-8-1-9-29(25,26)27;1-3-22-18-11-14(21)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)23-4-2;1-2-27(24,25)23-12-5-8-14-15(10-21)17(22-16(14)9-12)11-3-6-13(7-4-11)26-18(19)20/h8-14H,6-7H2,1-5H3,(H,26,28);4-8,11,14,19H,3,9-10,12-13H2,1-2H3;7-13H,4-6H2,1-3H3,(H2,24,25,27);5-9,12-13,18,24H,3-4,10-11H2,1-2H3;7-12,14,24H,4-6,13H2,1-3H3;7-13H,4-6H2,1-3H3,(H,24,26);7-13,23H,4-6H2,1-3H3;6-12,22H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;2-7,10,24H,1,8-9H2;5-11H,3-4,21H2,1-2H3;3-9,18,22-23H,2H2,1H3 |
| InChIKey | BEWSZCDHGLRMQO-UHFFFAOYSA-N |
| XLogP | 55.67 |
| TPSA | 926.54 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 332 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4690.38 |
| LogP ≤ 5 | 55.67 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 54 |