N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide

C17H17F3N2O5S — CID 140597348

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(-c2c(F)ccc(F)c2F)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H17F3N2O5S/c1-17(16(24)21-25,28(2,26)27)6-8-22-7-5-10(9-13(22)23)14-11(18)3-4-12(19)15(14)20/h3-5,7,9,25H,6,8H2,1-2H3,(H,21,24)
InChIKeyTWVTXKKSSWXMGV-UHFFFAOYSA-N
MW418.39 g/mol
LogP1.63
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide (PubChem CID 140597348) has the molecular formula C17H17F3N2O5S and a molecular weight of 418.39 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
PubChem CID140597348
Molecular FormulaC17H17F3N2O5S
Molecular Weight418.39 g/mol
Exact Mass418.08
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(-c2c(F)ccc(F)c2F)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H17F3N2O5S/c1-17(16(24)21-25,28(2,26)27)6-8-22-7-5-10(9-13(22)23)14-11(18)3-4-12(19)15(14)20/h3-5,7,9,25H,6,8H2,1-2H3,(H,21,24)
InChIKeyTWVTXKKSSWXMGV-UHFFFAOYSA-N
XLogP1.63
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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
4-[4-(2-fluoro-4-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 123963957
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116031
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116301
(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116105
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
4-[4-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115848
N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116303
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
(2R)-N-hydroxy-2-methyl-4-[4-[4-(1-methylimidazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116515
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-pyridin-2-yl-1-pyridinyl)butanamide
CID 57326892

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide (CID 140597348) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide is CC(CCn1ccc(-c2c(F)ccc(F)c2F)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide?
The InChIKey is TWVTXKKSSWXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O5S/c1-17(16(24)21-25,28(2,26)27)6-8-22-7-5-10(9-13(22)23)14-11(18)3-4-12(19)15(14)20/h3-5,7,9,25H,6,8H2,1-2H3,(H,21,24).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide has a molecular weight of 418.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 140597348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).