4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H25NO4S — CID 90684275

IUPAC4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H25NO4S/c1-14-5-8-18(13-15(14)2)17-9-6-16(7-10-17)11-12-20(3,19(22)21-23)26(4,24)25/h5-10,13,23H,11-12H2,1-4H3,(H,21,22)
InChIKeyBGWLSUWALDZIQD-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.21
Rot. Bonds6

About 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684275) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684275
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H25NO4S/c1-14-5-8-18(13-15(14)2)17-9-6-16(7-10-17)11-12-20(3,19(22)21-23)26(4,24)25/h5-10,13,23H,11-12H2,1-4H3,(H,21,22)
InChIKeyBGWLSUWALDZIQD-UHFFFAOYSA-N
XLogP3.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.21
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-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684275) is 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is BGWLSUWALDZIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14-5-8-18(13-15(14)2)17-9-6-16(7-10-17)11-12-20(3,19(22)21-23)26(4,24)25/h5-10,13,23H,11-12H2,1-4H3,(H,21,22).
What are the key properties of 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 375.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).