(2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C24H25FN2O6S — CID 138454242

IUPAC(2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@](CCn1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyRPIBMYVEZQVKQW-DEOSSOPVSA-N
MW488.54 g/mol
LogP2.93
Rot. Bonds9

About (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 138454242) has the molecular formula C24H25FN2O6S and a molecular weight of 488.54 g/mol. Its IUPAC name is (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID138454242
Molecular FormulaC24H25FN2O6S
Molecular Weight488.54 g/mol
Exact Mass488.14
IUPAC Name(2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@](CCn1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyRPIBMYVEZQVKQW-DEOSSOPVSA-N
XLogP2.93
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 138454242) is (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@](CCn1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is RPIBMYVEZQVKQW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 488.54 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(2-fluoro-4-phenylmethoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 138454242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).