4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C21H27ClN2O7S — CID 90116035

IUPAC4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(OCCCCO)cc2Cl)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H27ClN2O7S/c1-21(20(27)23-28,32(2,29)30)8-10-24-9-7-15(13-19(24)26)17-6-5-16(14-18(17)22)31-12-4-3-11-25/h5-7,9,13-14,25,28H,3-4,8,10-12H2,1-2H3,(H,23,27)
InChIKeyBYRQSMVGMXGNJL-UHFFFAOYSA-N
MW486.97 g/mol
LogP2.02
Rot. Bonds11

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

4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116035) has the molecular formula C21H27ClN2O7S and a molecular weight of 486.97 g/mol. Its IUPAC name is 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116035
Molecular FormulaC21H27ClN2O7S
Molecular Weight486.97 g/mol
Exact Mass486.12
IUPAC Name4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccc(OCCCCO)cc2Cl)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H27ClN2O7S/c1-21(20(27)23-28,32(2,29)30)8-10-24-9-7-15(13-19(24)26)17-6-5-16(14-18(17)22)31-12-4-3-11-25/h5-7,9,13-14,25,28H,3-4,8,10-12H2,1-2H3,(H,23,27)
InChIKeyBYRQSMVGMXGNJL-UHFFFAOYSA-N
XLogP2.02
TPSA134.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.97
LogP ≤ 52.02
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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Related Compounds

N-hydroxy-4-[4-[4-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116437
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116127
N-hydroxy-4-[4-[6-(3-hydroxypropoxy)naphthalen-2-yl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116058
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-3-methylphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116416
(2R)-4-[4-[4-(3-cyanopropoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116425
(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116240
N-hydroxy-4-[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140640897
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116301
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-(2-pyridin-2-ylethoxy)phenyl]-1-pyridinyl]butanamide
CID 90116360
4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]-3-methylbenzamide
CID 90116562
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90116035) is 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2ccc(OCCCCO)cc2Cl)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is BYRQSMVGMXGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O7S/c1-21(20(27)23-28,32(2,29)30)8-10-24-9-7-15(13-19(24)26)17-6-5-16(14-18(17)22)31-12-4-3-11-25/h5-7,9,13-14,25,28H,3-4,8,10-12H2,1-2H3,(H,23,27).
What are the key properties of 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 486.97 g/mol, XLogP of 2.02, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).