2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

C24H25BrN2O4S — CID 5173639

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C24H25BrN2O4S/c1-2-18-8-13-23(22(25)16-18)31-17-24(28)27-20-9-11-21(12-10-20)32(29,30)26-15-14-19-6-4-3-5-7-19/h3-13,16,26H,2,14-15,17H2,1H3,(H,27,28)
InChIKeyODISQSXTGMAWHR-UHFFFAOYSA-N
MW517.45 g/mol
LogP4.55
Rot. Bonds10

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

2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (PubChem CID 5173639) has the molecular formula C24H25BrN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
PubChem CID5173639
Molecular FormulaC24H25BrN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.07
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C24H25BrN2O4S/c1-2-18-8-13-23(22(25)16-18)31-17-24(28)27-20-9-11-21(12-10-20)32(29,30)26-15-14-19-6-4-3-5-7-19/h3-13,16,26H,2,14-15,17H2,1H3,(H,27,28)
InChIKeyODISQSXTGMAWHR-UHFFFAOYSA-N
XLogP4.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 30398518
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-ethylphenoxy)acetamide
CID 1015110
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922253
2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 19201692
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (CID 5173639) is 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The InChIKey is ODISQSXTGMAWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4S/c1-2-18-8-13-23(22(25)16-18)31-17-24(28)27-20-9-11-21(12-10-20)32(29,30)26-15-14-19-6-4-3-5-7-19/h3-13,16,26H,2,14-15,17H2,1H3,(H,27,28).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide has a molecular weight of 517.45 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 5173639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).