4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H23NO6S — CID 90684305

IUPAC4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1O
InChIInChI=1S/C20H23NO6S/c1-13(22)17-9-8-16(12-18(17)23)15-6-4-14(5-7-15)10-11-20(2,19(24)21-25)28(3,26)27/h4-9,12,23,25H,10-11H2,1-3H3,(H,21,24)
InChIKeyOGGXAJNXVKYGRL-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.50
Rot. Bonds7

About 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684305) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684305
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1O
InChIInChI=1S/C20H23NO6S/c1-13(22)17-9-8-16(12-18(17)23)15-6-4-14(5-7-15)10-11-20(2,19(24)21-25)28(3,26)27/h4-9,12,23,25H,10-11H2,1-3H3,(H,21,24)
InChIKeyOGGXAJNXVKYGRL-UHFFFAOYSA-N
XLogP2.50
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.50
H-Bond Donors ≤ 53
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'}

Analyze 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684284
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
4-[4-(cyclohepten-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 86668776
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide
CID 90684309
4-[4-(2,3-dichlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684268
4-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851060
4-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684337
4-[4-(5-cyanothiophen-2-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851121
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
(2R)-N-hydroxy-4-[6-[4-(2-hydroxyethyl)phenyl]-1-oxoisoquinolin-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 129217598
N-hydroxy-4-[6-[4-(2-hydroxyethyl)phenyl]-1-oxoisoquinolin-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 129239194
4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663394

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684305) is 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1O.
What is the InChIKey of 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is OGGXAJNXVKYGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-13(22)17-9-8-16(12-18(17)23)15-6-4-14(5-7-15)10-11-20(2,19(24)21-25)28(3,26)27/h4-9,12,23,25H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 405.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).