4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide

C19H21NO2S — CID 24505212

IUPAC4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-3-14-4-6-15(7-5-14)18(21)12-13-19(22)20-16-8-10-17(23-2)11-9-16/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyVITWRGXYLZKIRU-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.57
Rot. Bonds7

About 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide

4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide (PubChem CID 24505212) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
PubChem CID24505212
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-3-14-4-6-15(7-5-14)18(21)12-13-19(22)20-16-8-10-17(23-2)11-9-16/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyVITWRGXYLZKIRU-UHFFFAOYSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-methylsulfanylphenyl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 31541809
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114963469
N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
3-[4-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690041
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829152
4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37122275
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide (CID 24505212) is 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccc(SC)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide?
The InChIKey is VITWRGXYLZKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-3-14-4-6-15(7-5-14)18(21)12-13-19(22)20-16-8-10-17(23-2)11-9-16/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide?
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide has a molecular weight of 327.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide is sourced from PubChem (CID 24505212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).