N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

C18H22N2O6S — CID 76510680

IUPACN-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cc1
InChIInChI=1S/C18H22N2O6S/c1-18(17(22)19-23,27(3,24)25)9-11-20-10-8-14(12-16(20)21)13-4-6-15(26-2)7-5-13/h4-8,10,12,23H,9,11H2,1-3H3,(H,19,22)
InChIKeyLHRSHRZWNPQALQ-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.22
Rot. Bonds7

About N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 76510680) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID76510680
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cc1
InChIInChI=1S/C18H22N2O6S/c1-18(17(22)19-23,27(3,24)25)9-11-20-10-8-14(12-16(20)21)13-4-6-15(26-2)7-5-13/h4-8,10,12,23H,9,11H2,1-3H3,(H,19,22)
InChIKeyLHRSHRZWNPQALQ-UHFFFAOYSA-N
XLogP1.22
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.22
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 N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 76510680) is N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is COc1ccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cc1.
What is the InChIKey of N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is LHRSHRZWNPQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-18(17(22)19-23,27(3,24)25)9-11-20-10-8-14(12-16(20)21)13-4-6-15(26-2)7-5-13/h4-8,10,12,23H,9,11H2,1-3H3,(H,19,22).
What are the key properties of N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 394.45 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 76510680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).