(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H20F2N2O6S — CID 90116105

IUPAC(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1ccc(-c2ccc(OC(F)F)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O6S/c1-18(16(24)21-25,29(2,26)27)8-10-22-9-7-13(11-15(22)23)12-3-5-14(6-4-12)28-17(19)20/h3-7,9,11,17,25H,8,10H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyYFYHNVDSWUHOJY-GOSISDBHSA-N
MW430.43 g/mol
LogP1.82
Rot. Bonds8

About (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116105) has the molecular formula C18H20F2N2O6S and a molecular weight of 430.43 g/mol. Its IUPAC name is (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116105
Molecular FormulaC18H20F2N2O6S
Molecular Weight430.43 g/mol
Exact Mass430.10
IUPAC Name(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1ccc(-c2ccc(OC(F)F)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O6S/c1-18(16(24)21-25,29(2,26)27)8-10-22-9-7-13(11-15(22)23)12-3-5-14(6-4-12)28-17(19)20/h3-7,9,11,17,25H,8,10H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyYFYHNVDSWUHOJY-GOSISDBHSA-N
XLogP1.82
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
(2R)-4-[4-[4-(3-cyanopropoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116425
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
(2R)-4-[4-[4-(3,4-dihydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116142
N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140597344
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
CID 140597348
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
(2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 130207770
(2R)-N-hydroxy-2-methyl-4-[4-[4-(1-methylimidazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116515
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide
CID 140640877

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90116105) is (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCn1ccc(-c2ccc(OC(F)F)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is YFYHNVDSWUHOJY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20F2N2O6S/c1-18(16(24)21-25,29(2,26)27)8-10-22-9-7-13(11-15(22)23)12-3-5-14(6-4-12)28-17(19)20/h3-7,9,11,17,25H,8,10H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 430.43 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).