4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide

C19H22N2O4S — CID 18159034

IUPAC4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-14-4-6-15(7-5-14)18(22)12-13-19(23)21-16-8-10-17(11-9-16)26(24,25)20-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyNLKOUWIGQNEKQG-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.76
Rot. Bonds8

About 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide

4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide (PubChem CID 18159034) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
PubChem CID18159034
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-14-4-6-15(7-5-14)18(22)12-13-19(23)21-16-8-10-17(11-9-16)26(24,25)20-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyNLKOUWIGQNEKQG-UHFFFAOYSA-N
XLogP2.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
3-[4-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690041
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide (CID 18159034) is 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide?
The InChIKey is NLKOUWIGQNEKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-14-4-6-15(7-5-14)18(22)12-13-19(23)21-16-8-10-17(11-9-16)26(24,25)20-2/h4-11,20H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide?
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide has a molecular weight of 374.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 18159034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).