2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide

C21H19FN2O4S — CID 126207961

IUPAC2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1F
InChIInChI=1S/C21H19FN2O4S/c22-19-8-4-5-9-20(19)24-21(25)15-28-17-10-12-18(13-11-17)29(26,27)23-14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,24,25)
InChIKeyXOSVPAUKSAARDR-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.32
Rot. Bonds8

About 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide

2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 126207961) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID126207961
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1F
InChIInChI=1S/C21H19FN2O4S/c22-19-8-4-5-9-20(19)24-21(25)15-28-17-10-12-18(13-11-17)29(26,27)23-14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,24,25)
InChIKeyXOSVPAUKSAARDR-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 1182077
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 126197548
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide (CID 126207961) is 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1F.
What is the InChIKey of 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is XOSVPAUKSAARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c22-19-8-4-5-9-20(19)24-21(25)15-28-17-10-12-18(13-11-17)29(26,27)23-14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,24,25).
What are the key properties of 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide?
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 414.46 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126207961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).