C164H163Cl12N15O18S6 — CID 158198226
2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-[2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide (PubChem CID 158198226) has the molecular formula C164H163Cl12N15O18S6 and a molecular weight of 3250.03 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-[2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide.
| Compound Name | 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-[2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide |
|---|---|
| PubChem CID | 158198226 |
| Molecular Formula | C164H163Cl12N15O18S6 |
| Molecular Weight | 3250.03 g/mol |
| Exact Mass | 3241.69 |
| IUPAC Name | 2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;2-(6-chloro-1H-indol-3-yl)-1-(3-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-[2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-one;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(3-methylbutylsulfanyl)-5-oxopyrrolidine-3-carboxamide;1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carboxamide |
| SMILES | COCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(SCCC(C)C)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1c[nH]c2cc(Cl)ccc12.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.COCCNC(=O)C1(Sc2ccccc2)CC(=O)N(c2ccccc2Cl)C1c1ccc(Cl)cc1.Cc1ccc(SC2(C(=O)N3CCCC(=O)C3)CC(=O)N(Cc3ccc(Cl)cc3)C2c2c[nH]c3cc(Cl)ccc23)cc1 |
| InChI | InChI=1S/C32H29Cl2N3O3S.C28H25Cl2N3O3S.C27H31Cl2N3O3S.2C26H24Cl2N2O3S.C25H30Cl2N2O3S/c1-20-4-11-25(12-5-20)41-32(31(40)36-14-2-3-24(38)19-36)16-29(39)37(18-21-6-8-22(33)9-7-21)30(32)27-17-35-28-15-23(34)10-13-26(27)28;1-36-13-12-31-27(35)28(37-21-8-3-2-4-9-21)16-25(34)33(20-7-5-6-18(29)14-20)26(28)23-17-32-24-15-19(30)10-11-22(23)24;1-17(2)9-12-36-27(26(34)30-10-11-35-3)15-24(33)32(20-6-4-5-18(28)13-20)25(27)22-16-31-23-14-19(29)7-8-21(22)23;1-33-15-14-29-25(32)26(34-22-8-3-2-4-9-22)17-23(31)30(21-7-5-6-20(28)16-21)24(26)18-10-12-19(27)13-11-18;1-33-16-15-29-25(32)26(34-20-7-3-2-4-8-20)17-23(31)30(22-10-6-5-9-21(22)28)24(26)18-11-13-19(27)14-12-18;1-17(2)11-14-33-25(24(31)28-12-13-32-3)16-22(30)29(21-6-4-5-20(27)15-21)23(25)18-7-9-19(26)10-8-18/h4-13,15,17,30,35H,2-3,14,16,18-19H2,1H3;2-11,14-15,17,26,32H,12-13,16H2,1H3,(H,31,35);4-8,13-14,16-17,25,31H,9-12,15H2,1-3H3,(H,30,34);2-13,16,24H,14-15,17H2,1H3,(H,29,32);2-14,24H,15-17H2,1H3,(H,29,32);4-10,15,17,23H,11-14,16H2,1-3H3,(H,28,31) |
| InChIKey | GAPISBFTJDAMAJ-UHFFFAOYSA-N |
| XLogP | 36.74 |
| TPSA | 398.26 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3250.03 |
| LogP ≤ 5 | 36.74 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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