C256H266ClN37O38S7 — CID 158336081
1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile (PubChem CID 158336081) has the molecular formula C256H266ClN37O38S7 and a molecular weight of 4729.09 g/mol. Its IUPAC name is 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile.
| Compound Name | 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile |
|---|---|
| PubChem CID | 158336081 |
| Molecular Formula | C256H266ClN37O38S7 |
| Molecular Weight | 4729.09 g/mol |
| Exact Mass | 4724.78 |
| IUPAC Name | 1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N,N-dimethylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]acetamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-morpholin-4-ylsulfonylphenyl)indole-3-carbonitrile;1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile |
| SMILES | CCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(CC)c2c1.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21 |
| InChI | InChI=1S/C25H27N3O3.C24H25N3O3.C23H26N4O3.C22H23N3O4S.C22H25N3O4S.C22H23N3O3.C21H21N3O3S.C21H21N3O3.C20H21N3O3S.C19H18ClN3O3S.C19H19N3O3S.C18H17N3O3S/c1-4-28-23-15-20(31-17(2)3)9-10-21(23)22(16-26)24(28)18-5-7-19(8-6-18)25(29)27-11-13-30-14-12-27;1-3-27-22-15-19(30-4-2)9-10-20(22)21(16-25)23(27)17-5-7-18(8-6-17)24(28)26-11-13-29-14-12-26;1-4-25-23(28)26-12-13-30-17-8-6-16(7-9-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-25-21-14-17(28-2)6-9-19(21)20(15-23)22(25)16-4-7-18(8-5-16)30(26,27)24-10-12-29-13-11-24;1-4-25-21-14-18(28-3)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)29-13-12-24-30(26,27)5-2;1-4-25-21-13-18(27-3)9-10-19(21)20(14-23)22(25)16-5-7-17(8-6-16)28-12-11-24-15(2)26;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-6-15(7-5-14)23-28(25,26)17-9-10-17;1-3-24-20-12-17(26-2)8-9-18(20)19(13-22)21(24)15-4-6-16(7-5-15)27-11-10-23-14-25;1-5-23-19-12-15(26-4)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)27(24,25)22(2)3;1-3-23-18-10-15(26-2)8-9-16(18)17(11-21)19(23)13-4-6-14(7-5-13)22-27(24,25)12-20;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23/h5-10,15,17H,4,11-14H2,1-3H3;5-10,15H,3-4,11-14H2,1-2H3;6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4-9,14H,3,10-13H2,1-2H3;6-11,14,24H,4-5,12-13H2,1-3H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);4-8,11-12,17,23H,3,9-10H2,1-2H3;4-9,12,14H,3,10-11H2,1-2H3,(H,23,25);6-12H,5H2,1-4H3;4-10,22H,3,12H2,1-2H3;5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23) |
| InChIKey | GQPCTZOZCKXRIV-UHFFFAOYSA-N |
| XLogP | 43.94 |
| TPSA | 979.56 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 62 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 339 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4729.09 |
| LogP ≤ 5 | 43.94 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 62 |