N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide

C22H19FN2O5S — CID 126397930

IUPACN-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H19FN2O5S/c1-15(26)16-3-2-4-19(13-16)24-22(27)14-30-20-9-11-21(12-10-20)31(28,29)25-18-7-5-17(23)6-8-18/h2-13,25H,14H2,1H3,(H,24,27)
InChIKeyWAKKBYUQFPYUFI-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.85
Rot. Bonds8

About N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide

N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 126397930) has the molecular formula C22H19FN2O5S and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
PubChem CID126397930
Molecular FormulaC22H19FN2O5S
Molecular Weight442.47 g/mol
Exact Mass442.10
IUPAC NameN-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H19FN2O5S/c1-15(26)16-3-2-4-19(13-16)24-22(27)14-30-20-9-11-21(12-10-20)31(28,29)25-18-7-5-17(23)6-8-18/h2-13,25H,14H2,1H3,(H,24,27)
InChIKeyWAKKBYUQFPYUFI-UHFFFAOYSA-N
XLogP3.85
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(4-iodophenyl)acetamide
CID 126396397
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 2228508
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-(3-acetylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1314176
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
N-(3-acetylphenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544853

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide (CID 126397930) is N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide is CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is WAKKBYUQFPYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O5S/c1-15(26)16-3-2-4-19(13-16)24-22(27)14-30-20-9-11-21(12-10-20)31(28,29)25-18-7-5-17(23)6-8-18/h2-13,25H,14H2,1H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide?
N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 442.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126397930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).