3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide

C21H28N2O4S — CID 9194405

IUPAC3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C)cc2C)c1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)19-9-7-8-18(15-19)21(24)22-12-13-27-20-11-10-16(3)14-17(20)4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,22,24)
InChIKeyAKYCNLJEKRCVFC-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.14
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide

3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide (PubChem CID 9194405) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
PubChem CID9194405
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C)cc2C)c1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)19-9-7-8-18(15-19)21(24)22-12-13-27-20-11-10-16(3)14-17(20)4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,22,24)
InChIKeyAKYCNLJEKRCVFC-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
N-[2-(2,4-dimethylphenoxy)ethyl]-3-iodobenzamide
CID 100514188
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
3-[ethyl-(3-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063706
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide (CID 9194405) is 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C)cc2C)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide?
The InChIKey is AKYCNLJEKRCVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)19-9-7-8-18(15-19)21(24)22-12-13-27-20-11-10-16(3)14-17(20)4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,22,24).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide?
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 9194405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).