N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide

C19H24N2O5S — CID 76511212

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(CCc2ccccc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-19(18(23)20-24,27(2,25)26)11-13-21-12-10-16(14-17(21)22)9-8-15-6-4-3-5-7-15/h3-7,10,12,14,24H,8-9,11,13H2,1-2H3,(H,20,23)
InChIKeyJIKGFEMNIUOQBK-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.33
Rot. Bonds8

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide (PubChem CID 76511212) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide
PubChem CID76511212
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide
SMILESCC(CCn1ccc(CCc2ccccc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-19(18(23)20-24,27(2,25)26)11-13-21-12-10-16(14-17(21)22)9-8-15-6-4-3-5-7-15/h3-7,10,12,14,24H,8-9,11,13H2,1-2H3,(H,20,23)
InChIKeyJIKGFEMNIUOQBK-UHFFFAOYSA-N
XLogP1.33
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.33
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 N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide (CID 76511212) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide is CC(CCn1ccc(CCc2ccccc2)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-phenylethyl)-1-pyridinyl]butanamide?
The InChIKey is JIKGFEMNIUOQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-19(18(23)20-24,27(2,25)26)11-13-21-12-10-16(14-17(21)22)9-8-15-6-4-3-5-7-15/h3-7,10,12,14,24H,8-9,11,13H2,1-2H3,(H,20,23).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide has a molecular weight of 392.48 g/mol, XLogP of 1.33, 8 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-phenylethyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 76511212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).