4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H22N2O5S — CID 90684287

IUPAC4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(22)15-5-7-16(8-6-15)17-9-4-14(12-20-17)10-11-19(2,18(23)21-24)27(3,25)26/h4-9,12,24H,10-11H2,1-3H3,(H,21,23)
InChIKeyWGJUQDAFEGXEFT-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.19
Rot. Bonds7

About 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684287) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684287
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(22)15-5-7-16(8-6-15)17-9-4-14(12-20-17)10-11-19(2,18(23)21-24)27(3,25)26/h4-9,12,24H,10-11H2,1-3H3,(H,21,23)
InChIKeyWGJUQDAFEGXEFT-UHFFFAOYSA-N
XLogP2.19
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.19
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 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684287) is 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cn2)cc1.
What is the InChIKey of 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is WGJUQDAFEGXEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(22)15-5-7-16(8-6-15)17-9-4-14(12-20-17)10-11-19(2,18(23)21-24)27(3,25)26/h4-9,12,24H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 390.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).