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

C19H20ClN3O4S — CID 4779757

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C19H20ClN3O4S/c1-3-23(4-2)28(25,26)15-9-10-16(20)17(11-15)22-19(24)13-27-18-8-6-5-7-14(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyZLAWCRVVCUWJDZ-UHFFFAOYSA-N
MW421.91 g/mol
LogP3.26
Rot. Bonds8

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

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 4779757) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
PubChem CID4779757
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C19H20ClN3O4S/c1-3-23(4-2)28(25,26)15-9-10-16(20)17(11-15)22-19(24)13-27-18-8-6-5-7-14(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyZLAWCRVVCUWJDZ-UHFFFAOYSA-N
XLogP3.26
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
CID 55381133
2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55404926
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
CID 39820178
2-(2-cyanophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141494
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 4148507
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 4810421
2-(5-chloroquinolin-8-yl)oxy-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55355338
N-[4-[2-chloro-5-(diethylsulfamoyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55427118

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide (CID 4779757) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2C#N)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is ZLAWCRVVCUWJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-3-23(4-2)28(25,26)15-9-10-16(20)17(11-15)22-19(24)13-27-18-8-6-5-7-14(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 421.91 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 4779757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).