C213H215F16N33O30S8 — CID 157420216
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 157420216) has the molecular formula C213H215F16N33O30S8 and a molecular weight of 4277.77 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate.
| Compound Name | N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate |
|---|---|
| PubChem CID | 157420216 |
| Molecular Formula | C213H215F16N33O30S8 |
| Molecular Weight | 4277.77 g/mol |
| Exact Mass | 4274.38 |
| IUPAC Name | N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate |
| SMILES | CC(C)n1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCN(C)CC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4ccnc4)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C)cc1.CCS(=O)(=O)Nc1ccc(-c2cc3ccc(OC(F)F)cc3n2C(C)C)cc1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21 |
| InChI | InChI=1S/C28H35N5O3.C26H27N5O3.2C21H21F2N3O3S.3C20H19F2N3O3S.C20H22F2N2O3S.C19H17F2N3O3S.C18H15F2N3O3S/c1-4-33-26-19-23(36-17-7-12-32-15-13-31(3)14-16-32)10-11-24(26)25(20-29)27(33)21-8-6-9-22(18-21)30-28(34)35-5-2;1-3-31-24-16-21(34-14-6-12-30-13-11-28-18-30)9-10-22(24)23(17-27)25(31)19-7-5-8-20(15-19)29-26(32)33-4-2;1-4-30(27,28)25-15-7-5-14(6-8-15)20-18(12-24)17-10-9-16(29-21(22)23)11-19(17)26(20)13(2)3;1-3-11-26-19-12-16(29-21(22)23)9-10-17(19)18(13-24)20(26)14-5-7-15(8-6-14)25-30(27,28)4-2;1-12(2)25-18-10-15(28-20(21)22)8-9-16(18)17(11-23)19(25)13-4-6-14(7-5-13)24-29(3,26)27;1-3-10-25-18-11-15(28-20(21)22)8-9-16(18)17(12-23)19(25)13-4-6-14(7-5-13)24-29(2,26)27;1-3-25-18-11-15(28-20(21)22)9-10-16(18)17(12-23)19(25)13-5-7-14(8-6-13)24-29(26,27)4-2;1-4-28(25,26)23-16-8-5-14(6-9-16)18-11-15-7-10-17(27-20(21)22)12-19(15)24(18)13(2)3;1-3-28(25,26)23-13-6-4-12(5-7-13)18-16(11-22)15-9-8-14(27-19(20)21)10-17(15)24(18)2;1-23-16-9-13(26-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(6-4-11)22-27(2,24)25/h6,8-11,18-19H,4-5,7,12-17H2,1-3H3,(H,30,34);5,7-11,13,15-16,18H,3-4,6,12,14H2,1-2H3,(H,29,32);5-11,13,21,25H,4H2,1-3H3;5-10,12,21,25H,3-4,11H2,1-2H3;4-10,12,20,24H,1-3H3;4-9,11,20,24H,3,10H2,1-2H3;5-11,20,24H,3-4H2,1-2H3;5-13,20,23H,4H2,1-3H3;4-10,19,23H,3H2,1-2H3;3-9,18,22H,1-2H3 |
| InChIKey | BPHXHTBWKZFMGV-UHFFFAOYSA-N |
| XLogP | 47.18 |
| TPSA | 826.03 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 71 |
| Heavy Atoms | 300 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4277.77 |
| LogP ≤ 5 | 47.18 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 53 |