4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide

C18H19NO4S — CID 27334790

IUPAC4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H19NO4S/c1-13-6-8-14(9-7-13)17(20)10-11-18(21)19-15-4-3-5-16(12-15)24(2,22)23/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyPACPQXJUDDJGGV-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.00
Rot. Bonds6

About 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide

4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide (PubChem CID 27334790) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
PubChem CID27334790
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H19NO4S/c1-13-6-8-14(9-7-13)17(20)10-11-18(21)19-15-4-3-5-16(12-15)24(2,22)23/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyPACPQXJUDDJGGV-UHFFFAOYSA-N
XLogP3.00
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide 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-bromophenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334715
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55992179
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 86979126
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
2-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzoyl]amino]acetic acid
CID 75429323

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide (CID 27334790) is 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide?
The InChIKey is PACPQXJUDDJGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-13-6-8-14(9-7-13)17(20)10-11-18(21)19-15-4-3-5-16(12-15)24(2,22)23/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide?
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide has a molecular weight of 345.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide is sourced from PubChem (CID 27334790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).