2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide

C24H21ClFN3O4S — CID 21079576

IUPAC2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1Oc1cc(C#N)cc(F)c1Cl
InChIInChI=1S/C24H21ClFN3O4S/c1-3-17-5-4-15(10-21(17)33-22-11-16(13-27)9-19(26)24(22)25)12-23(30)29-20-7-6-18(8-14(20)2)34(28,31)32/h4-11H,3,12H2,1-2H3,(H,29,30)(H2,28,31,32)
InChIKeyOGFIACUKYIZNES-UHFFFAOYSA-N
MW501.97 g/mol
LogP4.84
Rot. Bonds7

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

2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 21079576) has the molecular formula C24H21ClFN3O4S and a molecular weight of 501.97 g/mol. Its IUPAC name is 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID21079576
Molecular FormulaC24H21ClFN3O4S
Molecular Weight501.97 g/mol
Exact Mass501.09
IUPAC Name2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1Oc1cc(C#N)cc(F)c1Cl
InChIInChI=1S/C24H21ClFN3O4S/c1-3-17-5-4-15(10-21(17)33-22-11-16(13-27)9-19(26)24(22)25)12-23(30)29-20-7-6-18(8-14(20)2)34(28,31)32/h4-11H,3,12H2,1-2H3,(H,29,30)(H2,28,31,32)
InChIKeyOGFIACUKYIZNES-UHFFFAOYSA-N
XLogP4.84
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 54.84
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-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 21079576) is 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1Oc1cc(C#N)cc(F)c1Cl.
What is the InChIKey of 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is OGFIACUKYIZNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O4S/c1-3-17-5-4-15(10-21(17)33-22-11-16(13-27)9-19(26)24(22)25)12-23(30)29-20-7-6-18(8-14(20)2)34(28,31)32/h4-11H,3,12H2,1-2H3,(H,29,30)(H2,28,31,32).
What are the key properties of 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 501.97 g/mol, XLogP of 4.84, 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-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).