N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide

C22H20BrFN2O4S — CID 2947306

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)c1ccccc1
InChIInChI=1S/C22H20BrFN2O4S/c1-15(16-5-3-2-4-6-16)26-31(28,29)19-10-8-18(9-11-19)30-14-22(27)25-21-12-7-17(23)13-20(21)24/h2-13,15,26H,14H2,1H3,(H,25,27)
InChIKeyZCOGANCGHVNRGY-UHFFFAOYSA-N
MW507.38 g/mol
LogP4.65
Rot. Bonds8

About N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 2947306) has the molecular formula C22H20BrFN2O4S and a molecular weight of 507.38 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID2947306
Molecular FormulaC22H20BrFN2O4S
Molecular Weight507.38 g/mol
Exact Mass506.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)c1ccccc1
InChIInChI=1S/C22H20BrFN2O4S/c1-15(16-5-3-2-4-6-16)26-31(28,29)19-10-8-18(9-11-19)30-14-22(27)25-21-12-7-17(23)13-20(21)24/h2-13,15,26H,14H2,1H3,(H,25,27)
InChIKeyZCOGANCGHVNRGY-UHFFFAOYSA-N
XLogP4.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2942339
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 100801070
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406
N-(2,3-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126140739
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251916
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606415
N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide (CID 2947306) is N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide is CC(NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is ZCOGANCGHVNRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O4S/c1-15(16-5-3-2-4-6-16)26-31(28,29)19-10-8-18(9-11-19)30-14-22(27)25-21-12-7-17(23)13-20(21)24/h2-13,15,26H,14H2,1H3,(H,25,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 507.38 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2947306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).