About 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine
2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine (PubChem CID 143643610) has the molecular formula C25H44N2O4S
and a molecular weight of 468.70 g/mol. Its IUPAC name is 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine.
Molecular Properties
| Compound Name | 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine |
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| PubChem CID | 143643610 |
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| Molecular Formula | C25H44N2O4S |
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| Molecular Weight | 468.70 g/mol |
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| Exact Mass | 468.30 |
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| IUPAC Name | 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine |
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| SMILES | C=C(NC)OC(C)(C)C.C=CCCCCCCCC1(S(=O)(=O)NC(=O)C2CC2C=C)CC1 |
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| InChI | InChI=1S/C18H29NO3S.C7H15NO/c1-3-5-6-7-8-9-10-11-18(12-13-18)23(21,22)19-17(20)16-14-15(16)4-2;1-6(8-5)9-7(2,3)4/h3-4,15-16H,1-2,5-14H2,(H,19,20);8H,1H2,2-5H3 |
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| InChIKey | LJWAMBNRJQCCMR-UHFFFAOYSA-N |
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| XLogP | 5.20 |
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| TPSA | 84.50 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 468.70 |
| LogP ≤ 5 | 5.20 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine?
The IUPAC name of 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine (CID 143643610) is 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine.
What is the SMILES notation for 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine?
The canonical SMILES for 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine is C=C(NC)OC(C)(C)C.C=CCCCCCCCC1(S(=O)(=O)NC(=O)C2CC2C=C)CC1.
What is the InChIKey of 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine?
The InChIKey is LJWAMBNRJQCCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S.C7H15NO/c1-3-5-6-7-8-9-10-11-18(12-13-18)23(21,22)19-17(20)16-14-15(16)4-2;1-6(8-5)9-7(2,3)4/h3-4,15-16H,1-2,5-14H2,(H,19,20);8H,1H2,2-5H3.
What are the key properties of 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine?
2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine has a molecular weight of 468.70 g/mol, XLogP of 5.20, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-(1-non-8-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-methyl-1-[(2-methylpropan-2-yl)oxy]ethenamine is sourced from PubChem (CID 143643610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).