4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H24FNO5S — CID 91663388

IUPAC4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1F
InChIInChI=1S/C20H24FNO5S/c1-14-5-4-6-16(18(14)21)13-27-17-9-7-15(8-10-17)11-12-20(2,19(23)22-24)28(3,25)26/h4-10,24H,11-13H2,1-3H3,(H,22,23)
InChIKeyHTIAYDGXUCSQLI-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.95
Rot. Bonds8

About 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663388) has the molecular formula C20H24FNO5S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663388
Molecular FormulaC20H24FNO5S
Molecular Weight409.48 g/mol
Exact Mass409.14
IUPAC Name4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1F
InChIInChI=1S/C20H24FNO5S/c1-14-5-4-6-16(18(14)21)13-27-17-9-7-15(8-10-17)11-12-20(2,19(23)22-24)28(3,25)26/h4-10,24H,11-13H2,1-3H3,(H,22,23)
InChIKeyHTIAYDGXUCSQLI-UHFFFAOYSA-N
XLogP2.95
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide
CID 56951004
3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic acid hydroxyamide
CID 10572544
3-(4-Methoxy-benzenesulfonyl)-3-methyl-7-phenyl-heptanoic acid hydroxyamide
CID 10669027
3-(4-Methoxy-benzenesulfonyl)-6-phenyl-hexanoic acid hydroxyamide
CID 10714610
3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic acid hydroxyamide
CID 10761206
(S)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl-3-phenylpropanamide
CID 10959017
N-Hydroxy-2-(4-methoxy-phenylmethanesulfonyl)-2-methyl-3-phenyl-propionamide
CID 10992109
2-{[4-(2-butynyloxy)phenyl]sulfonyl}-N-hydroxy-2-(4-methoxyphenyl)acetamide
CID 11188429
2-{[4-(2-butynyloxy)phenyl]sulfonyl}-2-phenyl-N-hydroxyacetamide
CID 11233687
N-Hydroxy-3-(4-methoxy-benzenesulfonyl)-3-(4-phenoxy-phenyl)-propionamide
CID 44289521
3-(4-Benzyloxy-phenyl)-N-hydroxy-3-(4-methoxy-benzenesulfonyl)-propionamide
CID 44289867
(2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide
CID 54181369

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663388) is 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1F.
What is the InChIKey of 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is HTIAYDGXUCSQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO5S/c1-14-5-4-6-16(18(14)21)13-27-17-9-7-15(8-10-17)11-12-20(2,19(23)22-24)28(3,25)26/h4-10,24H,11-13H2,1-3H3,(H,22,23).
What are the key properties of 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 409.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).