About N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide
N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide (PubChem CID 69493464) has the molecular formula C31H39N5O4S
and a molecular weight of 577.75 g/mol. Its IUPAC name is N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide |
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| PubChem CID | 69493464 |
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| Molecular Formula | C31H39N5O4S |
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| Molecular Weight | 577.75 g/mol |
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| Exact Mass | 577.27 |
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| IUPAC Name | N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide |
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| SMILES | CC(C)(C)N1CC(c2ccccc2)N(C2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3)CC2)C1=O |
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| InChI | InChI=1S/C31H39N5O4S/c1-31(2,3)35-22-28(24-8-6-5-7-9-24)36(30(35)37)26-16-18-34(19-17-26)21-23-10-15-29(32-20-23)40-27-13-11-25(12-14-27)33-41(4,38)39/h5-15,20,26,28,33H,16-19,21-22H2,1-4H3 |
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| InChIKey | SVTCCSRCRXCQKC-UHFFFAOYSA-N |
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| XLogP | 5.49 |
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| TPSA | 95.08 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 577.75 |
| LogP ≤ 5 | 5.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide (CID 69493464) is N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide is CC(C)(C)N1CC(c2ccccc2)N(C2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3)CC2)C1=O.
What is the InChIKey of N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide?
The InChIKey is SVTCCSRCRXCQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O4S/c1-31(2,3)35-22-28(24-8-6-5-7-9-24)36(30(35)37)26-16-18-34(19-17-26)21-23-10-15-29(32-20-23)40-27-13-11-25(12-14-27)33-41(4,38)39/h5-15,20,26,28,33H,16-19,21-22H2,1-4H3.
What are the key properties of N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide?
N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide has a molecular weight of 577.75 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide is sourced from PubChem (CID 69493464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).