C151H151Cl2F4N23O19S5 — CID 158417764
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate (PubChem CID 158417764) has the molecular formula C151H151Cl2F4N23O19S5 and a molecular weight of 2899.24 g/mol. Its IUPAC name is N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate.
| Compound Name | N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 158417764 |
| Molecular Formula | C151H151Cl2F4N23O19S5 |
| Molecular Weight | 2899.24 g/mol |
| Exact Mass | 2895.95 |
| IUPAC Name | N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate |
| SMILES | C=CS(=O)(=O)Nc1cccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)c1.CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(NC(=O)OCCOC)c2)c(C#N)c2cc(N3CCOCC3)ccc21 |
| InChI | InChI=1S/C25H28N4O4.C25H28N4O3.C22H22FN3O3S.C20H18ClN3O2S.C20H20ClN3O2S.C20H16F3N3O2S.C19H19N3O3S/c1-3-29-23-8-7-20(28-9-11-32-12-10-28)16-21(23)22(17-26)24(29)18-5-4-6-19(15-18)27-25(30)33-14-13-31-2;1-3-12-32-25(30)27-19-7-5-6-18(15-19)24-22(17-26)21-16-20(28-10-13-31-14-11-28)8-9-23(21)29(24)4-2;1-2-26-21-13-17(29-12-11-23)7-10-19(21)20(14-24)22(26)15-3-5-16(6-4-15)25-30(27,28)18-8-9-18;1-2-24-19-10-5-14(21)11-17(19)18(12-22)20(24)13-3-6-15(7-4-13)23-27(25,26)16-8-9-16;1-3-11-27(25,26)23-16-8-5-14(6-9-16)20-18(13-22)17-12-15(21)7-10-19(17)24(20)4-2;1-3-26-18-11-14(20(21,22)23)8-9-16(18)17(12-24)19(26)13-6-5-7-15(10-13)25-29(27,28)4-2;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-11-15(25-3)9-10-18(16)22(19)2/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);5-9,15-16H,3-4,10-14H2,1-2H3,(H,27,30);3-7,10,13,18,25H,2,8-9,11-12H2,1H3;3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3;4-11,25H,2-3H2,1H3;5-11,21H,4H2,1-3H3 |
| InChIKey | HACMFALEPDBSIC-UHFFFAOYSA-N |
| XLogP | 32.03 |
| TPSA | 561.18 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2899.24 |
| LogP ≤ 5 | 32.03 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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