4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H23NO5S — CID 90684279

IUPAC4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23)
InChIKeyCIRMNVOQHGJYQO-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.80
Rot. Bonds7

About 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684279) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684279
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23)
InChIKeyCIRMNVOQHGJYQO-UHFFFAOYSA-N
XLogP2.80
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684279) is 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CIRMNVOQHGJYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 389.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).