4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H22FNO4S — CID 90684292

IUPAC4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H22FNO4S/c1-13-12-14(4-9-17(13)15-5-7-16(20)8-6-15)10-11-19(2,18(22)21-23)26(3,24)25/h4-9,12,23H,10-11H2,1-3H3,(H,21,22)
InChIKeyGGGLAGCMSUDIBG-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.04
Rot. Bonds6

About 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684292) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684292
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H22FNO4S/c1-13-12-14(4-9-17(13)15-5-7-16(20)8-6-15)10-11-19(2,18(22)21-23)26(3,24)25/h4-9,12,23H,10-11H2,1-3H3,(H,21,22)
InChIKeyGGGLAGCMSUDIBG-UHFFFAOYSA-N
XLogP3.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684292) is 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)ccc1-c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is GGGLAGCMSUDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-13-12-14(4-9-17(13)15-5-7-16(20)8-6-15)10-11-19(2,18(22)21-23)26(3,24)25/h4-9,12,23H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 379.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-3-methylphenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).