N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide

C21H28N2O4S — CID 26423148

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-17-7-11-19(12-8-17)27-16-21(24)22-15-18-9-13-20(14-10-18)28(25,26)23(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,22,24)
InChIKeyGJSVSJRSGFYCDX-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.97
Rot. Bonds10

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 26423148) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
PubChem CID26423148
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-17-7-11-19(12-8-17)27-16-21(24)22-15-18-9-13-20(14-10-18)28(25,26)23(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,22,24)
InChIKeyGJSVSJRSGFYCDX-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 26423151
2-[4-(diethylsulfamoyl)phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 28562560
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 6493165

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide (CID 26423148) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is GJSVSJRSGFYCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-17-7-11-19(12-8-17)27-16-21(24)22-15-18-9-13-20(14-10-18)28(25,26)23(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 26423148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).