About N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 16764159) has the molecular formula C20H18F4N4O5S
and a molecular weight of 502.45 g/mol. Its IUPAC name is N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.
Molecular Properties
| Compound Name | N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide |
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| PubChem CID | 16764159 |
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| Molecular Formula | C20H18F4N4O5S |
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| Molecular Weight | 502.45 g/mol |
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| Exact Mass | 502.09 |
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| IUPAC Name | N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide |
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| SMILES | CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 |
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| InChI | InChI=1S/C20H18F4N4O5S/c1-12(29)25-15-6-8-16(9-7-15)34(32,33)27-19(20(22,23)24)17(30)28(18(31)26-19)11-10-13-2-4-14(21)5-3-13/h2-9,27H,10-11H2,1H3,(H,25,29)(H,26,31) |
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| InChIKey | HRCJALSTULENBQ-UHFFFAOYSA-N |
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| XLogP | 2.12 |
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| TPSA | 124.68 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 502.45 |
| LogP ≤ 5 | 2.12 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (CID 16764159) is N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is HRCJALSTULENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O5S/c1-12(29)25-15-6-8-16(9-7-15)34(32,33)27-19(20(22,23)24)17(30)28(18(31)26-19)11-10-13-2-4-14(21)5-3-13/h2-9,27H,10-11H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 502.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[2-(4-fluorophenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16764159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).