2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

C22H21BrN2O4S — CID 5173418

IUPAC2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H21BrN2O4S/c23-18-6-10-20(11-7-18)29-16-22(26)25-19-8-12-21(13-9-19)30(27,28)24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26)
InChIKeyWKGQHNLQVDDZPA-UHFFFAOYSA-N
MW489.39 g/mol
LogP3.99
Rot. Bonds9

About 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (PubChem CID 5173418) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
PubChem CID5173418
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC Name2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H21BrN2O4S/c23-18-6-10-20(11-7-18)29-16-22(26)25-19-8-12-21(13-9-19)30(27,28)24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26)
InChIKeyWKGQHNLQVDDZPA-UHFFFAOYSA-N
XLogP3.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
N-(2,6-dichlorophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126122414
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173639
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465
N-(2-methylpropyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126119881

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (CID 5173418) is 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The InChIKey is WKGQHNLQVDDZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c23-18-6-10-20(11-7-18)29-16-22(26)25-19-8-12-21(13-9-19)30(27,28)24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26).
What are the key properties of 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide has a molecular weight of 489.39 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 5173418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).