N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide

C18H22N2O5S — CID 76511213

IUPACN-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
SMILESCc1c(-c2ccccc2)ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c1=O
InChIInChI=1S/C18H22N2O5S/c1-13-15(14-7-5-4-6-8-14)9-11-20(16(13)21)12-10-18(2,17(22)19-23)26(3,24)25/h4-9,11,23H,10,12H2,1-3H3,(H,19,22)
InChIKeyDCYOAULVEYOQRP-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.52
Rot. Bonds6

About N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide (PubChem CID 76511213) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
PubChem CID76511213
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
SMILESCc1c(-c2ccccc2)ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c1=O
InChIInChI=1S/C18H22N2O5S/c1-13-15(14-7-5-4-6-8-14)9-11-20(16(13)21)12-10-18(2,17(22)19-23)26(3,24)25/h4-9,11,23H,10,12H2,1-3H3,(H,19,22)
InChIKeyDCYOAULVEYOQRP-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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide (CID 76511213) is N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide is Cc1c(-c2ccccc2)ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c1=O.
What is the InChIKey of N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
The InChIKey is DCYOAULVEYOQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-15(14-7-5-4-6-8-14)9-11-20(16(13)21)12-10-18(2,17(22)19-23)26(3,24)25/h4-9,11,23H,10,12H2,1-3H3,(H,19,22).
What are the key properties of N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-(3-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-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide is sourced from PubChem (CID 76511213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).