3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide

C21H25FN2O3S — CID 126248632

IUPAC3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3S/c22-17-9-11-18(12-10-17)23-21(25)15-8-16-6-13-20(14-7-16)28(26,27)24-19-4-2-1-3-5-19/h6-7,9-14,19,24H,1-5,8,15H2,(H,23,25)
InChIKeyVBJDRWQVFSHBJI-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.01
Rot. Bonds7

About 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide

3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide (PubChem CID 126248632) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
PubChem CID126248632
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3S/c22-17-9-11-18(12-10-17)23-21(25)15-8-16-6-13-20(14-7-16)28(26,27)24-19-4-2-1-3-5-19/h6-7,9-14,19,24H,1-5,8,15H2,(H,23,25)
InChIKeyVBJDRWQVFSHBJI-UHFFFAOYSA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide 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

N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 99968141
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 3202155
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide (CID 126248632) is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide?
The InChIKey is VBJDRWQVFSHBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c22-17-9-11-18(12-10-17)23-21(25)15-8-16-6-13-20(14-7-16)28(26,27)24-19-4-2-1-3-5-19/h6-7,9-14,19,24H,1-5,8,15H2,(H,23,25).
What are the key properties of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide?
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide has a molecular weight of 404.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 126248632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).