C174H186Br2N20O20S — CID 159085874
N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzhydryl-2-(1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;2-(1H-indol-3-yl)-N-[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethyl]-2-oxoacetamide;2-(1H-indol-3-yl)-N-(2-morpholin-4-yl-1-phenylethyl)-2-oxoacetamide;2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide;molecular hydrogen (PubChem CID 159085874) has the molecular formula C174H186Br2N20O20S and a molecular weight of 3069.40 g/mol. Its IUPAC name is N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzhydryl-2-(1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;2-(1H-indol-3-yl)-N-[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethyl]-2-oxoacetamide;2-(1H-indol-3-yl)-N-(2-morpholin-4-yl-1-phenylethyl)-2-oxoacetamide;2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide;molecular hydrogen.
| Compound Name | N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzhydryl-2-(1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;2-(1H-indol-3-yl)-N-[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethyl]-2-oxoacetamide;2-(1H-indol-3-yl)-N-(2-morpholin-4-yl-1-phenylethyl)-2-oxoacetamide;2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide;molecular hydrogen |
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| PubChem CID | 159085874 |
| Molecular Formula | C174H186Br2N20O20S |
| Molecular Weight | 3069.40 g/mol |
| Exact Mass | 3065.22 |
| IUPAC Name | N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzhydryl-2-(1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;2-(1H-indol-3-yl)-N-[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethyl]-2-oxoacetamide;2-(1H-indol-3-yl)-N-(2-morpholin-4-yl-1-phenylethyl)-2-oxoacetamide;2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide;molecular hydrogen |
| SMILES | CC(=O)Nc1ccc(OCCCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccccc1N1CCN(C(=O)C(=O)c2c[nH]c3ccc(Br)cc23)CC1.Cc1ccc(Cn2cc(SCCNC(=O)C(=O)c3c[nH]c4ccccc34)c3ccccc32)cc1.O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c[nH]c2ccccc12.O=C(NC(CN1CCOCC1)c1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(NC(c1ccccc1)c1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(NCCc1ccccc1)C(=O)c1c[nH]c2ccccc12.O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C28H25N3O2S.C24H20N2O2.C23H18N2O2.C22H23N3O3.C21H20BrN3O4.C21H20BrN3O3.C18H16N2O2.C17H14N2O2.15H2/c1-19-10-12-20(13-11-19)17-31-18-26(22-7-3-5-9-25(22)31)34-15-14-29-28(33)27(32)23-16-30-24-8-4-2-6-21(23)24;27-23(21-15-25-22-14-8-7-13-20(21)22)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19;26-22(19-15-24-20-14-8-7-13-18(19)20)23(27)25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17;26-21(18-14-23-19-9-5-4-8-17(18)19)22(27)24-20(16-6-2-1-3-7-16)15-25-10-12-28-13-11-25;1-13(26)25-15-4-6-16(7-5-15)29-10-2-9-23-21(28)20(27)18-12-24-19-8-3-14(22)11-17(18)19;1-28-19-5-3-2-4-18(19)24-8-10-25(11-9-24)21(27)20(26)16-13-23-17-7-6-14(22)12-15(16)17;21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-11-10-13-6-2-1-3-7-13;20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12;;;;;;;;;;;;;;;/h2-13,16,18,30H,14-15,17H2,1H3,(H,29,33);1-15,25H,16-17H2;1-15,21,24H,(H,25,27);1-9,14,20,23H,10-13,15H2,(H,24,27);3-8,11-12,24H,2,9-10H2,1H3,(H,23,28)(H,25,26);2-7,12-13,23H,8-11H2,1H3;1-9,12,20H,10-11H2,(H,19,22);1-9,11,18H,10H2,(H,19,21);15*1H |
| InChIKey | KBLBVTDPRMRFFZ-UHFFFAOYSA-N |
| XLogP | 33.14 |
| TPSA | 546.30 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3069.40 |
| LogP ≤ 5 | 33.14 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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