(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H20F2N2O5S — CID 88880234

IUPAC(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cc(-c2cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2F)ccc1F
InChIInChI=1S/C18H20F2N2O5S/c1-11-8-12(4-5-14(11)19)13-9-16(23)22(10-15(13)20)7-6-18(2,17(24)21-25)28(3,26)27/h4-5,8-10,25H,6-7H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyCNNISRAIKTVRMR-GOSISDBHSA-N
MW414.43 g/mol
LogP1.80
Rot. Bonds6

About (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88880234) has the molecular formula C18H20F2N2O5S and a molecular weight of 414.43 g/mol. Its IUPAC name is (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88880234
Molecular FormulaC18H20F2N2O5S
Molecular Weight414.43 g/mol
Exact Mass414.11
IUPAC Name(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cc(-c2cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2F)ccc1F
InChIInChI=1S/C18H20F2N2O5S/c1-11-8-12(4-5-14(11)19)13-9-16(23)22(10-15(13)20)7-6-18(2,17(24)21-25)28(3,26)27/h4-5,8-10,25H,6-7H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyCNNISRAIKTVRMR-GOSISDBHSA-N
XLogP1.80
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(2r)-N-Hydroxy-2-Methyl-2-(Methylsulfonyl)-4-(2-Oxo-4-Phenylpyridin-1(2h)-Yl)butanamide
CID 56593152
(2R)-4-[4-(4-chloro-2,3-difluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 53247213
(2R)-4-[4-(4-chloro-2-fluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57325690
N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenyl-1-pyridinyl)butanamide
CID 76370542
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide
CID 53247214
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-[2-oxo-4-(2-phenylethyl)pyridin-1(2H)-yl]butanamide
CID 57326597
(2R)-4-(3-Fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326693
(2R)-4-(5-fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326694
(R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-(phenylethynyl) pyridin-1(2H)-yl)butanamide
CID 57326985
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[(E)-2-phenylvinyl]pyridin-1(2H)-yl}butanamide
CID 57326986
(2R)-4-[4-(2-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57326987

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88880234) is (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1cc(-c2cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2F)ccc1F.
What is the InChIKey of (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CNNISRAIKTVRMR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20F2N2O5S/c1-11-8-12(4-5-14(11)19)13-9-16(23)22(10-15(13)20)7-6-18(2,17(24)21-25)28(3,26)27/h4-5,8-10,25H,6-7H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 414.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88880234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).