4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H21FN2O5S — CID 90684310

IUPAC4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)c(F)c2)nc1
InChIInChI=1S/C19H21FN2O5S/c1-12(23)15-6-7-17(21-11-15)14-5-4-13(16(20)10-14)8-9-19(2,18(24)22-25)28(3,26)27/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24)
InChIKeyCVICNFCHSWMXNJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.33
Rot. Bonds7

About 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684310) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684310
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)c(F)c2)nc1
InChIInChI=1S/C19H21FN2O5S/c1-12(23)15-6-7-17(21-11-15)14-5-4-13(16(20)10-14)8-9-19(2,18(24)22-25)28(3,26)27/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24)
InChIKeyCVICNFCHSWMXNJ-UHFFFAOYSA-N
XLogP2.33
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.33
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-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684310) is 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)c(F)c2)nc1.
What is the InChIKey of 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CVICNFCHSWMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-12(23)15-6-7-17(21-11-15)14-5-4-13(16(20)10-14)8-9-19(2,18(24)22-25)28(3,26)27/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24).
What are the key properties of 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 408.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).