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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-[6-(3-hydroxypropoxy)naphthalen-2-yl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116058
(2R)-4-[4-[4-(3-cyanopropoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116425
N-hydroxy-4-[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140640897
4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116035
(2R)-4-[4-[4-(3,4-dihydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116142
(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116240
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-3-methylphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116416
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-(2-pyridin-2-ylethoxy)phenyl]-1-pyridinyl]butanamide
CID 90116360
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116127
(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116105
N-hydroxy-4-[4-[4-(4-hydroxycyclohexyl)oxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140597344

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).