2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide

C22H17Cl2N3O5S — CID 87760016

IUPAC2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
SMILESCOc1cc(CC(=O)Nc2ccccc2S(=O)(=O)NCl)ccc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H17Cl2N3O5S/c1-31-20-10-14(6-7-19(20)32-17-9-15(13-25)8-16(23)12-17)11-22(28)26-18-4-2-3-5-21(18)33(29,30)27-24/h2-10,12,27H,11H2,1H3,(H,26,28)
InChIKeyHHIUQSLEPZGYSN-UHFFFAOYSA-N
MW506.37 g/mol
LogP4.63
Rot. Bonds8

About 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide

2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide (PubChem CID 87760016) has the molecular formula C22H17Cl2N3O5S and a molecular weight of 506.37 g/mol. Its IUPAC name is 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
PubChem CID87760016
Molecular FormulaC22H17Cl2N3O5S
Molecular Weight506.37 g/mol
Exact Mass505.03
IUPAC Name2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
SMILESCOc1cc(CC(=O)Nc2ccccc2S(=O)(=O)NCl)ccc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H17Cl2N3O5S/c1-31-20-10-14(6-7-19(20)32-17-9-15(13-25)8-16(23)12-17)11-22(28)26-18-4-2-3-5-21(18)33(29,30)27-24/h2-10,12,27H,11H2,1H3,(H,26,28)
InChIKeyHHIUQSLEPZGYSN-UHFFFAOYSA-N
XLogP4.63
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-[2-(methylsulfamoyl)phenyl]acetamide
CID 69018128
2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
CID 21079684
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
CID 67480996
2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl chloride
CID 21079734
2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide
CID 89385329
2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
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
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide (CID 87760016) is 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide is COc1cc(CC(=O)Nc2ccccc2S(=O)(=O)NCl)ccc1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide?
The InChIKey is HHIUQSLEPZGYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O5S/c1-31-20-10-14(6-7-19(20)32-17-9-15(13-25)8-16(23)12-17)11-22(28)26-18-4-2-3-5-21(18)33(29,30)27-24/h2-10,12,27H,11H2,1H3,(H,26,28).
What are the key properties of 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide?
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide has a molecular weight of 506.37 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide is sourced from PubChem (CID 87760016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).