2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide

C22H20Cl2N2O4S — CID 126397596

IUPAC2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-15-11-18(31(28,29)25-13-16-5-3-2-4-6-16)8-10-21(15)30-14-22(27)26-20-9-7-17(23)12-19(20)24/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyVDFKXBHTLZBUDT-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.80
Rot. Bonds8

About 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 126397596) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
PubChem CID126397596
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-15-11-18(31(28,29)25-13-16-5-3-2-4-6-16)8-10-21(15)30-14-22(27)26-20-9-7-17(23)12-19(20)24/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyVDFKXBHTLZBUDT-UHFFFAOYSA-N
XLogP4.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126260217
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126397975
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
CID 126393732
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126272811
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100796723
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126392144
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
CID 126394650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide (CID 126397596) is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide is Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is VDFKXBHTLZBUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-15-11-18(31(28,29)25-13-16-5-3-2-4-6-16)8-10-21(15)30-14-22(27)26-20-9-7-17(23)12-19(20)24/h2-12,25H,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide?
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 479.39 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 126397596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).