N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide

C22H21BrN2O4S — CID 4928938

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C22H21BrN2O4S/c1-16-7-12-21(20(23)13-16)29-15-22(26)25-18-8-10-19(11-9-18)30(27,28)24-14-17-5-3-2-4-6-17/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyFHVILSGNLOHCHL-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.25
Rot. Bonds8

About N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide

N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide (PubChem CID 4928938) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
PubChem CID4928938
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C22H21BrN2O4S/c1-16-7-12-21(20(23)13-16)29-15-22(26)25-18-8-10-19(11-9-18)30(27,28)24-14-17-5-3-2-4-6-17/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyFHVILSGNLOHCHL-UHFFFAOYSA-N
XLogP4.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173639
4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
CID 126393732
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
CID 17073799
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 3969964
2-(2-bromo-4-phenylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4960662
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100796723
2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17161178
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide (CID 4928938) is N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(Br)c1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
The InChIKey is FHVILSGNLOHCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-16-7-12-21(20(23)13-16)29-15-22(26)25-18-8-10-19(11-9-18)30(27,28)24-14-17-5-3-2-4-6-17/h2-13,24H,14-15H2,1H3,(H,25,26).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide has a molecular weight of 489.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide is sourced from PubChem (CID 4928938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).