About N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 2922988) has the molecular formula C24H32N4O4S
and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Molecular Properties
| Compound Name | N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide |
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| PubChem CID | 2922988 |
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| Molecular Formula | C24H32N4O4S |
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| Molecular Weight | 472.61 g/mol |
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| Exact Mass | 472.21 |
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| IUPAC Name | N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide |
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| SMILES | CCOc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3c2CCC3)cc1 |
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| InChI | InChI=1S/C24H32N4O4S/c1-2-32-18-8-6-17(7-9-18)26-23(30)22-19-4-3-5-20(19)33-24(22)27-21(29)16-25-10-11-28-12-14-31-15-13-28/h6-9,25H,2-5,10-16H2,1H3,(H,26,30)(H,27,29) |
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| InChIKey | ILWVBZVJGZUXOY-UHFFFAOYSA-N |
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| XLogP | 2.75 |
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| TPSA | 91.93 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 472.61 |
| LogP ≤ 5 | 2.75 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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 N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 2922988) is N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCOc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3c2CCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is ILWVBZVJGZUXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-2-32-18-8-6-17(7-9-18)26-23(30)22-19-4-3-5-20(19)33-24(22)27-21(29)16-25-10-11-28-12-14-31-15-13-28/h6-9,25H,2-5,10-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 2.75, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2922988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).