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

C21H28N2O6S2 — CID 90116240

IUPAC(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1ccc(-c2ccc(SCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H28N2O6S2/c1-21(20(26)22-27,31(2,28)29)10-12-23-11-9-17(15-19(23)25)16-5-7-18(8-6-16)30-14-4-3-13-24/h5-9,11,15,24,27H,3-4,10,12-14H2,1-2H3,(H,22,26)/t21-/m1/s1
InChIKeyIXCLUSWSECJXNH-OAQYLSRUSA-N
MW468.60 g/mol
LogP2.08
Rot. Bonds11

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

(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116240) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116240
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1ccc(-c2ccc(SCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H28N2O6S2/c1-21(20(26)22-27,31(2,28)29)10-12-23-11-9-17(15-19(23)25)16-5-7-18(8-6-16)30-14-4-3-13-24/h5-9,11,15,24,27H,3-4,10,12-14H2,1-2H3,(H,22,26)/t21-/m1/s1
InChIKeyIXCLUSWSECJXNH-OAQYLSRUSA-N
XLogP2.08
TPSA125.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(2r)-N-Hydroxy-2-Methyl-2-(Methylsulfonyl)-4-(2-Oxo-4-Phenylpyridin-1(2h)-Yl)butanamide
CID 56593152
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-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
(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
(2R)-4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57326988
(2R)-4-[4-(4-fluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326989
(2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57325601
(2R)-N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
CID 57326598
(2R)-N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
CID 57326599

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 90116240) is (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCn1ccc(-c2ccc(SCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is IXCLUSWSECJXNH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-21(20(26)22-27,31(2,28)29)10-12-23-11-9-17(15-19(23)25)16-5-7-18(8-6-16)30-14-4-3-13-24/h5-9,11,15,24,27H,3-4,10,12-14H2,1-2H3,(H,22,26)/t21-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 468.60 g/mol, XLogP of 2.08, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).