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

C19H20N2O6S — CID 86671941

IUPAC4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2cc3ccccc3o2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20N2O6S/c1-19(18(23)20-24,28(2,25)26)8-10-21-9-7-14(12-17(21)22)16-11-13-5-3-4-6-15(13)27-16/h3-7,9,11-12,24H,8,10H2,1-2H3,(H,20,23)
InChIKeyPLSNLXWMBPVOHP-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.96
Rot. Bonds6

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

4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 86671941) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID86671941
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2cc3ccccc3o2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20N2O6S/c1-19(18(23)20-24,28(2,25)26)8-10-21-9-7-14(12-17(21)22)16-11-13-5-3-4-6-15(13)27-16/h3-7,9,11-12,24H,8,10H2,1-2H3,(H,20,23)
InChIKeyPLSNLXWMBPVOHP-UHFFFAOYSA-N
XLogP1.96
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.96
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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Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116202
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
CID 140597348
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116303
N-hydroxy-2-methyl-4-[4-[4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 140640860
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-[4-[4-(5-methyltetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640885
(2R)-4-[4-[4-(3-cyanopropoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116425

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 86671941) is 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2cc3ccccc3o2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is PLSNLXWMBPVOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-19(18(23)20-24,28(2,25)26)8-10-21-9-7-14(12-17(21)22)16-11-13-5-3-4-6-15(13)27-16/h3-7,9,11-12,24H,8,10H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 404.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-2-yl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 86671941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).