HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 72441069Generated: October 26, 2026
2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
https://huagongshe.com/en/chemical/72441069
Identifiers & Physical Properties
| Molecular formula | C28H31ClN4O2S |
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| Average molar mass | 523.1 g/mol |
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| SMILES | O=C(NCCN1CCCC1)C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 |
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| InChIKey | IVXDTOLICPPPGJ-UHFFFAOYSA-N |
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| PubChem CID | 72441069 |
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Chemical & Physical Properties
| XLogP | 5.5 |
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| Topological polar surface area | 97.7 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 670 |
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![2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide molecular structure](/img/chemical/72441069.png)