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

C19H24N2O5S — CID 57325601

IUPAC(2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cc(C)cc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)c1
InChIInChI=1S/C19H24N2O5S/c1-13-9-14(2)11-16(10-13)15-5-7-21(17(22)12-15)8-6-19(3,18(23)20-24)27(4,25)26/h5,7,9-12,24H,6,8H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyUOQOEDOPLCUDSO-LJQANCHMSA-N
MW392.48 g/mol
LogP1.83
Rot. Bonds6

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

(2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 57325601) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID57325601
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name(2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cc(C)cc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)c1
InChIInChI=1S/C19H24N2O5S/c1-13-9-14(2)11-16(10-13)15-5-7-21(17(22)12-15)8-6-19(3,18(23)20-24)27(4,25)26/h5,7,9-12,24H,6,8H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyUOQOEDOPLCUDSO-LJQANCHMSA-N
XLogP1.83
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.83
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 57325601) is (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1cc(C)cc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)c1.
What is the InChIKey of (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is UOQOEDOPLCUDSO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-9-14(2)11-16(10-13)15-5-7-21(17(22)12-15)8-6-19(3,18(23)20-24)27(4,25)26/h5,7,9-12,24H,6,8H2,1-4H3,(H,20,23)/t19-/m1/s1.
What are the key properties of (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 392.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(3,5-dimethylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 57325601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).