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

C23H19ClFN3O4S — CID 67480866

IUPAC2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(F)c1Oc1cc(C#N)ccc1Cl
InChIInChI=1S/C23H19ClFN3O4S/c1-2-15-4-5-16(12-21(29)28-17-6-8-18(9-7-17)33(27,30)31)22(25)23(15)32-20-11-14(13-26)3-10-19(20)24/h3-11H,2,12H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyYEKVUHDRWVSDBQ-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.53
Rot. Bonds7

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

2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 67480866) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID67480866
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(F)c1Oc1cc(C#N)ccc1Cl
InChIInChI=1S/C23H19ClFN3O4S/c1-2-15-4-5-16(12-21(29)28-17-6-8-18(9-7-17)33(27,30)31)22(25)23(15)32-20-11-14(13-26)3-10-19(20)24/h3-11H,2,12H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyYEKVUHDRWVSDBQ-UHFFFAOYSA-N
XLogP4.53
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide (CID 67480866) is 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide is CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(F)c1Oc1cc(C#N)ccc1Cl.
What is the InChIKey of 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is YEKVUHDRWVSDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-2-15-4-5-16(12-21(29)28-17-6-8-18(9-7-17)33(27,30)31)22(25)23(15)32-20-11-14(13-26)3-10-19(20)24/h3-11H,2,12H2,1H3,(H,28,29)(H2,27,30,31).
What are the key properties of 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 487.94 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-5-cyanophenoxy)-4-ethyl-2-fluorophenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 67480866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).