2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide

C22H19ClN2O5S — CID 23149116

IUPAC2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O5S/c1-24-31(28,29)18-10-8-17(9-11-18)25-21(26)14-30-20-12-7-16(23)13-19(20)22(27)15-5-3-2-4-6-15/h2-13,24H,14H2,1H3,(H,25,26)
InChIKeyNZSNDKDXWYUOLL-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.50
Rot. Bonds8

About 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide

2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide (PubChem CID 23149116) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
PubChem CID23149116
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Name2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O5S/c1-24-31(28,29)18-10-8-17(9-11-18)25-21(26)14-30-20-12-7-16(23)13-19(20)22(27)15-5-3-2-4-6-15/h2-13,24H,14H2,1H3,(H,25,26)
InChIKeyNZSNDKDXWYUOLL-UHFFFAOYSA-N
XLogP3.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9219508
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 33482790
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4693583
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide (CID 23149116) is 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is NZSNDKDXWYUOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-24-31(28,29)18-10-8-17(9-11-18)25-21(26)14-30-20-12-7-16(23)13-19(20)22(27)15-5-3-2-4-6-15/h2-13,24H,14H2,1H3,(H,25,26).
What are the key properties of 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide?
2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 458.92 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 23149116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).