2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

C20H22ClN3O5S — CID 55404926

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C20H22ClN3O5S/c1-4-24(5-2)30(26,27)15-7-9-19(28-3)17(11-15)23-20(25)13-29-18-8-6-14(12-22)10-16(18)21/h6-11H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyCOZFTPDASFTGCK-UHFFFAOYSA-N
MW451.93 g/mol
LogP3.27
Rot. Bonds9

About 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (PubChem CID 55404926) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
PubChem CID55404926
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C20H22ClN3O5S/c1-4-24(5-2)30(26,27)15-7-9-19(28-3)17(11-15)23-20(25)13-29-18-8-6-14(12-22)10-16(18)21/h6-11H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyCOZFTPDASFTGCK-UHFFFAOYSA-N
XLogP3.27
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2492497
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19180442
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
2-(5-chloroquinolin-8-yl)oxy-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55355338
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
CID 4779757
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203124
2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203120
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (CID 55404926) is 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The InChIKey is COZFTPDASFTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c1-4-24(5-2)30(26,27)15-7-9-19(28-3)17(11-15)23-20(25)13-29-18-8-6-14(12-22)10-16(18)21/h6-11H,4-5,13H2,1-3H3,(H,23,25).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide has a molecular weight of 451.93 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 55404926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).