2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide

C24H21ClFN3O5S — CID 24966730

IUPAC2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(F)c1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C24H21ClFN3O5S/c1-3-16-4-7-21(23(26)24(16)34-18-10-15(12-27)9-17(25)11-18)33-13-22(30)29-20-6-5-19(8-14(20)2)35(28,31)32/h4-11H,3,13H2,1-2H3,(H,29,30)(H2,28,31,32)
InChIKeyXJFIOAMZSRDINO-UHFFFAOYSA-N
MW517.97 g/mol
LogP4.68
Rot. Bonds8

About 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 24966730) has the molecular formula C24H21ClFN3O5S and a molecular weight of 517.97 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID24966730
Molecular FormulaC24H21ClFN3O5S
Molecular Weight517.97 g/mol
Exact Mass517.09
IUPAC Name2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(F)c1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C24H21ClFN3O5S/c1-3-16-4-7-21(23(26)24(16)34-18-10-15(12-27)9-17(25)11-18)33-13-22(30)29-20-6-5-19(8-14(20)2)35(28,31)32/h4-11H,3,13H2,1-2H3,(H,29,30)(H2,28,31,32)
InChIKeyXJFIOAMZSRDINO-UHFFFAOYSA-N
XLogP4.68
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.97
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 24966730) is 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide is CCc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(F)c1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is XJFIOAMZSRDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O5S/c1-3-16-4-7-21(23(26)24(16)34-18-10-15(12-27)9-17(25)11-18)33-13-22(30)29-20-6-5-19(8-14(20)2)35(28,31)32/h4-11H,3,13H2,1-2H3,(H,29,30)(H2,28,31,32).
What are the key properties of 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 517.97 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 24966730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).