2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide

C23H20ClN3O4S — CID 58785209

IUPAC2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C#N)cc(C)c1Oc1cc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C23H20ClN3O4S/c1-14-9-17(13-25)10-15(2)23(14)31-21-11-16(3-8-20(21)24)12-22(28)27-18-4-6-19(7-5-18)32(26,29)30/h3-11H,12H2,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyVAKBPUNTLUUUBT-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.45
Rot. Bonds6

About 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide

2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 58785209) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID58785209
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C#N)cc(C)c1Oc1cc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C23H20ClN3O4S/c1-14-9-17(13-25)10-15(2)23(14)31-21-11-16(3-8-20(21)24)12-22(28)27-18-4-6-19(7-5-18)32(26,29)30/h3-11H,12H2,1-2H3,(H,27,28)(H2,26,29,30)
InChIKeyVAKBPUNTLUUUBT-UHFFFAOYSA-N
XLogP4.45
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[[2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]acetyl]amino]phenyl]acetate
CID 67480960
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
2-(4-methoxy-3-methylphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 16848496
methyl 2-[4-[[2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]acetyl]amino]phenyl]sulfanylacetate
CID 67480959
2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
CID 21079684
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(3,4-dichlorophenyl)acetamide
CID 122191133
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide (CID 58785209) is 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide is Cc1cc(C#N)cc(C)c1Oc1cc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VAKBPUNTLUUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-14-9-17(13-25)10-15(2)23(14)31-21-11-16(3-8-20(21)24)12-22(28)27-18-4-6-19(7-5-18)32(26,29)30/h3-11H,12H2,1-2H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 469.95 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 58785209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).