C278H290F4N38O35S2 — CID 159462376
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate (PubChem CID 159462376) has the molecular formula C278H290F4N38O35S2 and a molecular weight of 4863.74 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate.
| Compound Name | 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate |
|---|---|
| PubChem CID | 159462376 |
| Molecular Formula | C278H290F4N38O35S2 |
| Molecular Weight | 4863.74 g/mol |
| Exact Mass | 4860.15 |
| IUPAC Name | 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate |
| SMILES | CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1C.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1C.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1C.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1C.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCCF)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCCOC)cc3)n(C3CCC3)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)OC)cc21 |
| InChI | InChI=1S/C25H27N3O4.2C25H27N3O3.C24H24FN3O3.C24H25N3O3.C23H26N4O2.C23H23N3O3.C23H25N3O3.C22H24N4O2.C22H23N3O3.C21H18F3N3O2S.C21H21N3O4S/c1-3-31-20-11-12-21-22(16-26)24(28(23(21)15-20)19-5-4-6-19)17-7-9-18(10-8-17)27-25(29)32-14-13-30-2;1-4-30-20-12-13-21-22(15-26)24(28(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)27-25(29)31-16(2)3;1-3-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-13-12-20(30-4-2)15-23(21)28(24)19-6-5-7-19;1-2-30-19-10-11-20-21(15-26)23(28(22(20)14-19)18-4-3-5-18)16-6-8-17(9-7-16)27-24(29)31-13-12-25;1-3-29-19-12-13-20-21(15-25)23(27(22(20)14-19)18-6-5-7-18)16-8-10-17(11-9-16)26-24(28)30-4-2;1-5-11-25-23(28)26-20-10-7-16(12-15(20)3)22-19(14-24)18-9-8-17(29-4)13-21(18)27(22)6-2;1-3-29-18-11-12-19-20(14-24)22(26(21(19)13-18)17-5-4-6-17)15-7-9-16(10-8-15)25-23(27)28-2;1-5-11-29-23(27)25-20-10-7-16(12-15(20)3)22-19(14-24)18-9-8-17(28-4)13-21(18)26(22)6-2;1-5-24-22(27)25-19-10-7-15(11-14(19)3)21-18(13-23)17-9-8-16(28-4)12-20(17)26(21)6-2;1-5-25-20-12-16(27-4)8-9-17(20)18(13-23)21(25)15-7-10-19(14(3)11-15)24-22(26)28-6-2;1-2-26-19-12-15(21(22,23)24)6-9-17(19)18(13-25)20(26)14-4-7-16(8-5-14)27-10-3-11-30(27,28)29;1-4-24-19-12-15(21(25)28-3)8-11-17(19)18(13-22)20(24)14-6-9-16(10-7-14)23-29(26,27)5-2/h7-12,15,19H,3-6,13-14H2,1-2H3,(H,27,29);8-14,16,19H,4-7H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);6-11,14,18H,2-5,12-13H2,1H3,(H,27,29);8-14,18H,3-7H2,1-2H3,(H,26,28);7-10,12-13H,5-6,11H2,1-4H3,(H2,25,26,28);7-13,17H,3-6H2,1-2H3,(H,25,27);7-10,12-13H,5-6,11H2,1-4H3,(H,25,27);7-12H,5-6H2,1-4H3,(H2,24,25,27);7-12H,5-6H2,1-4H3,(H,24,26);4-9,12H,2-3,10-11H2,1H3;6-12,23H,4-5H2,1-3H3 |
| InChIKey | LUTCIQZLDDDXGZ-UHFFFAOYSA-N |
| XLogP | 63.97 |
| TPSA | 944.92 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 357 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4863.74 |
| LogP ≤ 5 | 63.97 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 59 |