About N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide
N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide (PubChem CID 58835132) has the molecular formula C28H33N5O4S
and a molecular weight of 535.67 g/mol. Its IUPAC name is N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide |
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| PubChem CID | 58835132 |
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| Molecular Formula | C28H33N5O4S |
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| Molecular Weight | 535.67 g/mol |
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| Exact Mass | 535.23 |
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| IUPAC Name | N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide |
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| SMILES | Cc1nc(Nc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 |
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| InChI | InChI=1S/C28H33N5O4S/c1-20-22(8-13-27(29-20)30-23-9-11-24(12-10-23)31-38(2,35)36)18-32-16-14-25(15-17-32)33-26(19-37-28(33)34)21-6-4-3-5-7-21/h3-13,25-26,31H,14-19H2,1-2H3,(H,29,30)/t26-/m0/s1 |
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| InChIKey | PMLCRSOITJSJKK-SANMLTNESA-N |
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| XLogP | 4.66 |
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| TPSA | 103.87 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 535.67 |
| LogP ≤ 5 | 4.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide (CID 58835132) is N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide is Cc1nc(Nc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
The InChIKey is PMLCRSOITJSJKK-SANMLTNESA-N. The full InChI is InChI=1S/C28H33N5O4S/c1-20-22(8-13-27(29-20)30-23-9-11-24(12-10-23)31-38(2,35)36)18-32-16-14-25(15-17-32)33-26(19-37-28(33)34)21-6-4-3-5-7-21/h3-13,25-26,31H,14-19H2,1-2H3,(H,29,30)/t26-/m0/s1.
What are the key properties of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide has a molecular weight of 535.67 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 58835132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).