N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

C21H28N2O8S — CID 90116127

IUPACN-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1cc(OCCCO)ccc1-c1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1
InChIInChI=1S/C21H28N2O8S/c1-21(20(26)22-27,32(3,28)29)8-10-23-9-7-15(13-19(23)25)17-6-5-16(14-18(17)30-2)31-12-4-11-24/h5-7,9,13-14,24,27H,4,8,10-12H2,1-3H3,(H,22,26)
InChIKeyKLWYUZHMDZQNMC-UHFFFAOYSA-N
MW468.53 g/mol
LogP0.98
Rot. Bonds11

About N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116127) has the molecular formula C21H28N2O8S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID90116127
Molecular FormulaC21H28N2O8S
Molecular Weight468.53 g/mol
Exact Mass468.16
IUPAC NameN-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1cc(OCCCO)ccc1-c1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1
InChIInChI=1S/C21H28N2O8S/c1-21(20(26)22-27,32(3,28)29)8-10-23-9-7-15(13-19(23)25)17-6-5-16(14-18(17)30-2)31-12-4-11-24/h5-7,9,13-14,24,27H,4,8,10-12H2,1-3H3,(H,22,26)
InChIKeyKLWYUZHMDZQNMC-UHFFFAOYSA-N
XLogP0.98
TPSA144.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

4-[4-[2-chloro-4-(4-hydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116035
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-(5-hydroxypentoxy)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116437
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-3-methylphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116416
N-hydroxy-4-[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140640897
(2R)-4-[4-[4-(3-cyanopropoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116425
(2R)-4-[4-[4-(3,4-dihydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116142
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116240
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-(2-pyridin-2-ylethoxy)phenyl]-1-pyridinyl]butanamide
CID 90116360
(2R)-4-[4-[4-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116105
4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]-3-methylbenzamide
CID 90116562

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 90116127) is N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is COc1cc(OCCCO)ccc1-c1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1.
What is the InChIKey of N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is KLWYUZHMDZQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O8S/c1-21(20(26)22-27,32(3,28)29)8-10-23-9-7-15(13-19(23)25)17-6-5-16(14-18(17)30-2)31-12-4-11-24/h5-7,9,13-14,24,27H,4,8,10-12H2,1-3H3,(H,22,26).
What are the key properties of N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 468.53 g/mol, XLogP of 0.98, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(3-hydroxypropoxy)-2-methoxyphenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).