C274H263F12N39O33S6 — CID 159035116
1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 159035116) has the molecular formula C274H263F12N39O33S6 and a molecular weight of 5050.74 g/mol. Its IUPAC name is 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
| Compound Name | 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 159035116 |
| Molecular Formula | C274H263F12N39O33S6 |
| Molecular Weight | 5050.74 g/mol |
| Exact Mass | 5046.82 |
| IUPAC Name | 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate |
| SMILES | C#CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C#CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C=CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCCO)cc2)c(C#N)c2ccc(OC)cc21 |
| InChI | InChI=1S/C37H32N6O3.C24H27N3O3.C23H25N3O3.C23H23N3O3.C23H21N3O3.C22H19N3O3.2C21H20F3N3O2S.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-42-33-19-27(45-3)15-17-29(33)31(21-38)35(42)23-7-11-25(12-8-23)40-37(44)41-26-13-9-24(10-14-26)36-32(22-39)30-18-16-28(46-4)20-34(30)43(36)6-2;1-6-27-21-13-18(29-5)11-12-19(21)20(14-25)22(27)16-7-9-17(10-8-16)26-23(28)30-15-24(2,3)4;2*1-5-15(3)29-23(27)25-17-9-7-16(8-10-17)22-20(14-24)19-12-11-18(28-4)13-21(19)26(22)6-2;1-4-6-13-29-23(27)25-17-9-7-16(8-10-17)22-20(15-24)19-12-11-18(28-3)14-21(19)26(22)5-2;1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2;1-4-27-19-11-15(21(22,23)24)7-10-17(19)18(12-25)20(27)14-5-8-16(9-6-14)26-30(28,29)13(2)3;1-3-11-30(28,29)26-16-8-5-14(6-9-16)20-18(13-25)17-10-7-15(21(22,23)24)12-19(17)27(20)4-2;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-9-17(10-5-14)28(25,26)23-15-6-7-15;1-3-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25-29(27,28)4-2;1-3-23-19-12-15(27-2)6-9-17(19)18(13-21)20(23)14-4-7-16(8-5-14)28(25,26)22-10-11-24;1-3-25-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(25)12-4-7-14(8-5-12)24-28(2,26)27/h7-20H,5-6H2,1-4H3,(H2,40,41,44);7-13H,6,15H2,1-5H3,(H,26,28);7-13,15H,5-6H2,1-4H3,(H,25,27);5,7-13,15H,1,6H2,2-4H3,(H,25,27);1,7-12,14H,5-6,13H2,2-3H3,(H,25,27);1,6-11,13H,5,12H2,2-3H3,(H,24,26);5-11,13,26H,4H2,1-3H3;5-10,12,26H,3-4,11H2,1-2H3;4-5,8-12,15,23H,3,6-7H2,1-2H3;5-11,25H,3-4H2,1-2H3;4-9,12,22,24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3 |
| InChIKey | JVJCOMLYHMOOJL-UHFFFAOYSA-N |
| XLogP | 60.67 |
| TPSA | 986.46 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 364 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5050.74 |
| LogP ≤ 5 | 60.67 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 59 |