2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide

C22H20Cl2N2O4S — CID 21079555

IUPAC2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-2-15-7-6-14(12-20(15)30-22-18(23)4-3-5-19(22)24)13-21(27)26-16-8-10-17(11-9-16)31(25,28)29/h3-12H,2,13H2,1H3,(H,26,27)(H2,25,28,29)
InChIKeyBTHBKKWFADXLID-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.18
Rot. Bonds7

About 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide

2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 21079555) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID21079555
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-2-15-7-6-14(12-20(15)30-22-18(23)4-3-5-19(22)24)13-21(27)26-16-8-10-17(11-9-16)31(25,28)29/h3-12H,2,13H2,1H3,(H,26,27)(H2,25,28,29)
InChIKeyBTHBKKWFADXLID-UHFFFAOYSA-N
XLogP5.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (CID 21079555) is 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is BTHBKKWFADXLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-2-15-7-6-14(12-20(15)30-22-18(23)4-3-5-19(22)24)13-21(27)26-16-8-10-17(11-9-16)31(25,28)29/h3-12H,2,13H2,1H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 479.39 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).