N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide

C20H23FN2O4S — CID 9415960

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-3-23(4-2)28(26,27)18-11-9-17(10-12-18)22-20(25)14-13-19(24)15-5-7-16(21)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyOLFYNGNBUGBFLI-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.46
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 9415960) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID9415960
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-3-23(4-2)28(26,27)18-11-9-17(10-12-18)22-20(25)14-13-19(24)15-5-7-16(21)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyOLFYNGNBUGBFLI-UHFFFAOYSA-N
XLogP3.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
methyl 4-[[2-[ethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]benzoate
CID 2986721
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45372361
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 9415960) is N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is OLFYNGNBUGBFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-3-23(4-2)28(26,27)18-11-9-17(10-12-18)22-20(25)14-13-19(24)15-5-7-16(21)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 406.48 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 9415960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).