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

C22H17Cl2N3O4S — CID 21079637

IUPAC2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H17Cl2N3O4S/c1-13-2-3-14(8-21(13)31-17-7-15(12-25)6-16(23)10-17)9-22(28)27-20-5-4-18(11-19(20)24)32(26,29)30/h2-8,10-11H,9H2,1H3,(H,27,28)(H2,26,29,30)
InChIKeyZMTWJWIAFKSKMY-UHFFFAOYSA-N
MW490.37 g/mol
LogP4.79
Rot. Bonds6

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

2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide (PubChem CID 21079637) has the molecular formula C22H17Cl2N3O4S and a molecular weight of 490.37 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
PubChem CID21079637
Molecular FormulaC22H17Cl2N3O4S
Molecular Weight490.37 g/mol
Exact Mass489.03
IUPAC Name2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H17Cl2N3O4S/c1-13-2-3-14(8-21(13)31-17-7-15(12-25)6-16(23)10-17)9-22(28)27-20-5-4-18(11-19(20)24)32(26,29)30/h2-8,10-11H,9H2,1H3,(H,27,28)(H2,26,29,30)
InChIKeyZMTWJWIAFKSKMY-UHFFFAOYSA-N
XLogP4.79
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
CID 67480996
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-methylpyrazol-3-yl)acetamide
CID 67481878
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]acetamide
CID 68807046
4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide
CID 58856179
2-[4-chloro-3-(4-cyano-2,6-dimethylphenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 58785209
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetamide
CID 67481765
2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 143402513
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
CID 87760016
2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
CID 21079684
N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylbutanamide
CID 11505476

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide (CID 21079637) is 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The InChIKey is ZMTWJWIAFKSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O4S/c1-13-2-3-14(8-21(13)31-17-7-15(12-25)6-16(23)10-17)9-22(28)27-20-5-4-18(11-19(20)24)32(26,29)30/h2-8,10-11H,9H2,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide has a molecular weight of 490.37 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).