N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

C22H30N2O7S — CID 90116437

IUPACN-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(OCCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H30N2O7S/c1-22(21(27)23-28,32(2,29)30)11-13-24-12-10-18(16-20(24)26)17-6-8-19(9-7-17)31-15-5-3-4-14-25/h6-10,12,16,25,28H,3-5,11,13-15H2,1-2H3,(H,23,27)
InChIKeyPOGIGNVOKZKHPY-UHFFFAOYSA-N
MW466.56 g/mol
LogP1.76
Rot. Bonds12

About N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116437) has the molecular formula C22H30N2O7S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116437
Molecular FormulaC22H30N2O7S
Molecular Weight466.56 g/mol
Exact Mass466.18
IUPAC NameN-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(OCCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H30N2O7S/c1-22(21(27)23-28,32(2,29)30)11-13-24-12-10-18(16-20(24)26)17-6-8-19(9-7-17)31-15-5-3-4-14-25/h6-10,12,16,25,28H,3-5,11,13-15H2,1-2H3,(H,23,27)
InChIKeyPOGIGNVOKZKHPY-UHFFFAOYSA-N
XLogP1.76
TPSA134.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 90116437) is N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2ccc(OCCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is POGIGNVOKZKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O7S/c1-22(21(27)23-28,32(2,29)30)11-13-24-12-10-18(16-20(24)26)17-6-8-19(9-7-17)31-15-5-3-4-14-25/h6-10,12,16,25,28H,3-5,11,13-15H2,1-2H3,(H,23,27).
What are the key properties of N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 466.56 g/mol, XLogP of 1.76, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).