4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

C17H17F3N2O5S — CID 129018710

IUPAC4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)C(CCn1cc(F)c(-c2ccc(OC(F)F)cc2)cc1=O)C(N)=O
InChIInChI=1S/C17H17F3N2O5S/c1-28(25,26)14(16(21)24)6-7-22-9-13(18)12(8-15(22)23)10-2-4-11(5-3-10)27-17(19)20/h2-5,8-9,14,17H,6-7H2,1H3,(H2,21,24)
InChIKeyCLKWAVMWSNLCDC-UHFFFAOYSA-N
MW418.39 g/mol
LogP1.54
Rot. Bonds8

About 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (PubChem CID 129018710) has the molecular formula C17H17F3N2O5S and a molecular weight of 418.39 g/mol. Its IUPAC name is 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
PubChem CID129018710
Molecular FormulaC17H17F3N2O5S
Molecular Weight418.39 g/mol
Exact Mass418.08
IUPAC Name4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCS(=O)(=O)C(CCn1cc(F)c(-c2ccc(OC(F)F)cc2)cc1=O)C(N)=O
InChIInChI=1S/C17H17F3N2O5S/c1-28(25,26)14(16(21)24)6-7-22-9-13(18)12(8-15(22)23)10-2-4-11(5-3-10)27-17(19)20/h2-5,8-9,14,17H,6-7H2,1H3,(H2,21,24)
InChIKeyCLKWAVMWSNLCDC-UHFFFAOYSA-N
XLogP1.54
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (CID 129018710) is 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is CS(=O)(=O)C(CCn1cc(F)c(-c2ccc(OC(F)F)cc2)cc1=O)C(N)=O.
What is the InChIKey of 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The InChIKey is CLKWAVMWSNLCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O5S/c1-28(25,26)14(16(21)24)6-7-22-9-13(18)12(8-15(22)23)10-2-4-11(5-3-10)27-17(19)20/h2-5,8-9,14,17H,6-7H2,1H3,(H2,21,24).
What are the key properties of 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide has a molecular weight of 418.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 129018710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).