C118H140Br8N24O16S8 — CID 172980743
(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(4-methylsulfanylbutyl)propanamide;(2E)-3-(4-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;bis((2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide);(2E)-3-(6-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(7-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(5-methylsulfanylpentyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide (PubChem CID 172980743) has the molecular formula C118H140Br8N24O16S8 and a molecular weight of 3046.34 g/mol. Its IUPAC name is (2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(4-methylsulfanylbutyl)propanamide;(2E)-3-(4-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;bis((2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide);(2E)-3-(6-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(7-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(5-methylsulfanylpentyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide.
| Compound Name | (2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(4-methylsulfanylbutyl)propanamide;(2E)-3-(4-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;bis((2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide);(2E)-3-(6-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(7-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(5-methylsulfanylpentyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide |
|---|---|
| PubChem CID | 172980743 |
| Molecular Formula | C118H140Br8N24O16S8 |
| Molecular Weight | 3046.34 g/mol |
| Exact Mass | 3036.21 |
| IUPAC Name | (2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(4-methylsulfanylbutyl)propanamide;(2E)-3-(4-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;bis((2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide);(2E)-3-(6-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(7-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(2-methylsulfanylethyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(5-methylsulfanylpentyl)propanamide;(2E)-3-(5-bromo-1H-indol-3-yl)-2-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide |
| SMILES | CSCCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O.CSCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O.CSCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O.CSCCNC(=O)/C(Cc1c[nH]c2c(Br)cccc12)=N/O.CSCCNC(=O)/C(Cc1c[nH]c2cc(Br)ccc12)=N/O.CSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O.CSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O.CSCCNC(=O)/C(Cc1c[nH]c2cccc(Br)c12)=N/O |
| InChI | InChI=1S/C17H22BrN3O2S.C16H20BrN3O2S.C15H18BrN3O2S.5C14H16BrN3O2S/c1-24-8-4-2-3-7-19-17(22)16(21-23)9-12-11-20-15-6-5-13(18)10-14(12)15;1-23-7-3-2-6-18-16(21)15(20-22)8-11-10-19-14-5-4-12(17)9-13(11)14;1-22-6-2-5-17-15(20)14(19-21)7-10-9-18-13-4-3-11(16)8-12(10)13;2*1-21-5-4-16-14(19)13(18-20)6-9-8-17-12-3-2-10(15)7-11(9)12;1-21-5-4-16-14(19)13(18-20)6-9-8-17-12-7-10(15)2-3-11(9)12;1-21-6-5-16-14(19)12(18-20)7-9-8-17-11-4-2-3-10(15)13(9)11;1-21-6-5-16-14(19)12(18-20)7-9-8-17-13-10(9)3-2-4-11(13)15/h5-6,10-11,20,23H,2-4,7-9H2,1H3,(H,19,22);4-5,9-10,19,22H,2-3,6-8H2,1H3,(H,18,21);3-4,8-9,18,21H,2,5-7H2,1H3,(H,17,20);3*2-3,7-8,17,20H,4-6H2,1H3,(H,16,19);2*2-4,8,17,20H,5-7H2,1H3,(H,16,19)/b21-16+;20-15+;19-14+;3*18-13+;2*18-12+ |
| InChIKey | UFUDTFGUOWADCN-UPQITNEOSA-N |
| XLogP | 24.60 |
| TPSA | 619.84 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3046.34 |
| LogP ≤ 5 | 24.60 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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