2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

C21H20BrN3O4S — CID 30398518

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(Br)c1
InChIInChI=1S/C21H20BrN3O4S/c1-2-15-5-10-20(19(22)12-15)29-14-21(26)24-16-6-8-18(9-7-16)30(27,28)25-17-4-3-11-23-13-17/h3-13,25H,2,14H2,1H3,(H,24,26)
InChIKeyAZZWICJISXVEME-UHFFFAOYSA-N
MW490.38 g/mol
LogP4.22
Rot. Bonds8

About 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 30398518) has the molecular formula C21H20BrN3O4S and a molecular weight of 490.38 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
PubChem CID30398518
Molecular FormulaC21H20BrN3O4S
Molecular Weight490.38 g/mol
Exact Mass489.04
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(Br)c1
InChIInChI=1S/C21H20BrN3O4S/c1-2-15-5-10-20(19(22)12-15)29-14-21(26)24-16-6-8-18(9-7-16)30(27,28)25-17-4-3-11-23-13-17/h3-13,25H,2,14H2,1H3,(H,24,26)
InChIKeyAZZWICJISXVEME-UHFFFAOYSA-N
XLogP4.22
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173639
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-bromo-4-ethylphenoxy)acetamide
CID 1015110
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157525
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17130580
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17189555
2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086692

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (CID 30398518) is 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is AZZWICJISXVEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O4S/c1-2-15-5-10-20(19(22)12-15)29-14-21(26)24-16-6-8-18(9-7-16)30(27,28)25-17-4-3-11-23-13-17/h3-13,25H,2,14H2,1H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 490.38 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 30398518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).