2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide

C20H23N3O5S — CID 2492497

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1
InChIInChI=1S/C20H23N3O5S/c1-4-23(5-2)29(25,26)17-9-7-16(8-10-17)22-20(24)14-28-18-11-6-15(13-21)12-19(18)27-3/h6-12H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyTZYWOVJIWVJIIQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.61
Rot. Bonds9

About 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 2492497) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID2492497
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1
InChIInChI=1S/C20H23N3O5S/c1-4-23(5-2)29(25,26)17-9-7-16(8-10-17)22-20(24)14-28-18-11-6-15(13-21)12-19(18)27-3/h6-12H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyTZYWOVJIWVJIIQ-UHFFFAOYSA-N
XLogP2.61
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55404926
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 27287293
2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253821
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 55314759
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16511665
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4845177
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 2492497) is 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is TZYWOVJIWVJIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-4-23(5-2)29(25,26)17-9-7-16(8-10-17)22-20(24)14-28-18-11-6-15(13-21)12-19(18)27-3/h6-12H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2492497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).