4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide

C16H23FN2O6S — CID 153343303

IUPAC4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
SMILESCc1cc(=O)n(CCC(C(=O)NOC2CCCCO2)S(C)(=O)=O)cc1F
InChIInChI=1S/C16H23FN2O6S/c1-11-9-14(20)19(10-12(11)17)7-6-13(26(2,22)23)16(21)18-25-15-5-3-4-8-24-15/h9-10,13,15H,3-8H2,1-2H3,(H,18,21)
InChIKeyQCIPVVPAQMPXAY-UHFFFAOYSA-N
MW390.43 g/mol
LogP0.67
Rot. Bonds7

About 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide

4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide (PubChem CID 153343303) has the molecular formula C16H23FN2O6S and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide.

Molecular Properties

Compound Name4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
PubChem CID153343303
Molecular FormulaC16H23FN2O6S
Molecular Weight390.43 g/mol
Exact Mass390.13
IUPAC Name4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
SMILESCc1cc(=O)n(CCC(C(=O)NOC2CCCCO2)S(C)(=O)=O)cc1F
InChIInChI=1S/C16H23FN2O6S/c1-11-9-14(20)19(10-12(11)17)7-6-13(26(2,22)23)16(21)18-25-15-5-3-4-8-24-15/h9-10,13,15H,3-8H2,1-2H3,(H,18,21)
InChIKeyQCIPVVPAQMPXAY-UHFFFAOYSA-N
XLogP0.67
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
The IUPAC name of 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide (CID 153343303) is 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide.
What is the SMILES notation for 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
The canonical SMILES for 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide is Cc1cc(=O)n(CCC(C(=O)NOC2CCCCO2)S(C)(=O)=O)cc1F.
What is the InChIKey of 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
The InChIKey is QCIPVVPAQMPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O6S/c1-11-9-14(20)19(10-12(11)17)7-6-13(26(2,22)23)16(21)18-25-15-5-3-4-8-24-15/h9-10,13,15H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide has a molecular weight of 390.43 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide is sourced from PubChem (CID 153343303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).