About N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 5020436) has the molecular formula C27H42N2O7S
and a molecular weight of 538.71 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
Molecular Properties
| Compound Name | N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide |
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| PubChem CID | 5020436 |
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| Molecular Formula | C27H42N2O7S |
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| Molecular Weight | 538.71 g/mol |
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| Exact Mass | 538.27 |
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| IUPAC Name | N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide |
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| SMILES | COc1ccc(S(=O)(=O)N(CCO)CCOC2CC(C(C)C)C=C(C(=O)N(C)C3CCCCC3)O2)cc1 |
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| InChI | InChI=1S/C27H42N2O7S/c1-20(2)21-18-25(27(31)28(3)22-8-6-5-7-9-22)36-26(19-21)35-17-15-29(14-16-30)37(32,33)24-12-10-23(34-4)11-13-24/h10-13,18,20-22,26,30H,5-9,14-17,19H2,1-4H3 |
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| InChIKey | OSZTZANLFHDKHL-UHFFFAOYSA-N |
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| XLogP | 3.39 |
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| TPSA | 105.61 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 538.71 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 5020436) is N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCOC2CC(C(C)C)C=C(C(=O)N(C)C3CCCCC3)O2)cc1.
What is the InChIKey of N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is OSZTZANLFHDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O7S/c1-20(2)21-18-25(27(31)28(3)22-8-6-5-7-9-22)36-26(19-21)35-17-15-29(14-16-30)37(32,33)24-12-10-23(34-4)11-13-24/h10-13,18,20-22,26,30H,5-9,14-17,19H2,1-4H3.
What are the key properties of N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 538.71 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 5020436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).