HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4875708Generated: October 31, 2026
2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxypyridin-3-yl)acetamide
https://huagongshe.com/en/chemical/4875708
Identifiers & Physical Properties
| CAS No. | 791086-16-3 |
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| Molecular formula | C16H18N2O2S |
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| Average molar mass | 302.4 g/mol |
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| Monoisotopic mass | 302.10889899 g/mol |
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| SMILES | COc1ccc(NC(=O)CSc2cc(C)ccc2C)cn1 |
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| InChIKey | LOUZGSVSVZDXKF-UHFFFAOYSA-N |
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| PubChem CID | 4875708 |
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| ChEMBL | CHEMBL1602580 |
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| DTXSID | DTXSID101326014 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 76.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 340 |
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| Solubility | 45.1 [ug/mL] (The mean of the results at pH 7.4) |
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