N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C23H22BrFN2O4S — CID 92649274

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H22BrFN2O4S/c1-3-27(32(29,30)20-11-4-16(2)5-12-20)18-7-9-19(10-8-18)31-15-23(28)26-22-13-6-17(24)14-21(22)25/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyMRTOWAJGDWSWHS-UHFFFAOYSA-N
MW521.41 g/mol
LogP5.13
Rot. Bonds8

About N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 92649274) has the molecular formula C23H22BrFN2O4S and a molecular weight of 521.41 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID92649274
Molecular FormulaC23H22BrFN2O4S
Molecular Weight521.41 g/mol
Exact Mass520.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H22BrFN2O4S/c1-3-27(32(29,30)20-11-4-16(2)5-12-20)18-7-9-19(10-8-18)31-15-23(28)26-22-13-6-17(24)14-21(22)25/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyMRTOWAJGDWSWHS-UHFFFAOYSA-N
XLogP5.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126415456
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4-difluorophenyl)acetamide
CID 92649336
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247359
dimethyl 5-[[2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 99960925
N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247356
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
N-(3,4-dimethoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649278
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 126311869
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 99960904
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 92649274) is N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is CCN(c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is MRTOWAJGDWSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN2O4S/c1-3-27(32(29,30)20-11-4-16(2)5-12-20)18-7-9-19(10-8-18)31-15-23(28)26-22-13-6-17(24)14-21(22)25/h4-14H,3,15H2,1-2H3,(H,26,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 521.41 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 92649274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).