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

C22H25FN2O4S — CID 108807070

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H25FN2O4S/c23-17-8-6-16(7-9-17)21(26)14-15-22(27)24-18-10-12-20(13-11-18)30(28,29)25-19-4-2-1-3-5-19/h6-13,19,25H,1-5,14-15H2,(H,24,27)
InChIKeyQESHKURQBPIRGD-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.04
Rot. Bonds8

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

N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 108807070) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID108807070
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H25FN2O4S/c23-17-8-6-16(7-9-17)21(26)14-15-22(27)24-18-10-12-20(13-11-18)30(28,29)25-19-4-2-1-3-5-19/h6-13,19,25H,1-5,14-15H2,(H,24,27)
InChIKeyQESHKURQBPIRGD-UHFFFAOYSA-N
XLogP4.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
CID 1015213
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26712109
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 3456876
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
CID 60508186

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 108807070) is N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is QESHKURQBPIRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c23-17-8-6-16(7-9-17)21(26)14-15-22(27)24-18-10-12-20(13-11-18)30(28,29)25-19-4-2-1-3-5-19/h6-13,19,25H,1-5,14-15H2,(H,24,27).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 432.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108807070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).