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

C18H22N2O5S — CID 76511214

IUPACN-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
SMILESCc1cn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-13-12-20(10-9-18(2,17(22)19-23)26(3,24)25)16(21)11-15(13)14-7-5-4-6-8-14/h4-8,11-12,23H,9-10H2,1-3H3,(H,19,22)
InChIKeyDMGWBQQIGFGRBM-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.52
Rot. Bonds6

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

N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide (PubChem CID 76511214) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
PubChem CID76511214
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
SMILESCc1cn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-13-12-20(10-9-18(2,17(22)19-23)26(3,24)25)16(21)11-15(13)14-7-5-4-6-8-14/h4-8,11-12,23H,9-10H2,1-3H3,(H,19,22)
InChIKeyDMGWBQQIGFGRBM-UHFFFAOYSA-N
XLogP1.52
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-Oxo-4-Phenylpyridin-1(2h)-Yl)butanamide
CID 56593152
(2R)-4-[4-(4-chloro-2,3-difluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 53247213
(2R)-4-[4-(4-chloro-2-fluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57325690
N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenyl-1-pyridinyl)butanamide
CID 76370542
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide
CID 53247214
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-[2-oxo-4-(2-phenylethyl)pyridin-1(2H)-yl]butanamide
CID 57326597
(2R)-4-(3-Fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326693
(2R)-4-(5-fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326694
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide
CID 57326695
(R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-(phenylethynyl) pyridin-1(2H)-yl)butanamide
CID 57326985
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[(E)-2-phenylvinyl]pyridin-1(2H)-yl}butanamide
CID 57326986

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide (CID 76511214) is N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide is Cc1cn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)cc1-c1ccccc1.
What is the InChIKey of N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
The InChIKey is DMGWBQQIGFGRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-12-20(10-9-18(2,17(22)19-23)26(3,24)25)16(21)11-15(13)14-7-5-4-6-8-14/h4-8,11-12,23H,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide has a molecular weight of 378.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide is sourced from PubChem (CID 76511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).