About 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164556926) has the molecular formula C22H45N3O8S
and a molecular weight of 511.68 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
Molecular Properties
| Compound Name | 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide |
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| PubChem CID | 164556926 |
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| Molecular Formula | C22H45N3O8S |
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| Molecular Weight | 511.68 g/mol |
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| Exact Mass | 511.29 |
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| IUPAC Name | 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide |
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| SMILES | CC(C)OCC(=O)NCCOCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1 |
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| InChI | InChI=1S/C22H45N3O8S/c1-20(2)33-19-22(26)23-5-11-29-13-15-31-17-18-32-16-14-30-12-10-24-6-8-25(9-7-24)34(27,28)21(3)4/h20-21H,5-19H2,1-4H3,(H,23,26) |
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| InChIKey | QDJPXEMIGICPJI-UHFFFAOYSA-N |
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| XLogP | -0.05 |
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| TPSA | 115.87 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 20 |
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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 | 511.68 |
| LogP ≤ 5 | -0.05 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 164556926) is 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is CC(C)OCC(=O)NCCOCCOCCOCCOCCN1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is QDJPXEMIGICPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O8S/c1-20(2)33-19-22(26)23-5-11-29-13-15-31-17-18-32-16-14-30-12-10-24-6-8-25(9-7-24)34(27,28)21(3)4/h20-21H,5-19H2,1-4H3,(H,23,26).
What are the key properties of 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 511.68 g/mol, XLogP of -0.05, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-[2-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164556926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).