4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide

C19H24N2O6S — CID 49245676

IUPAC4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide
SMILESCCOc1c(OC)cc(CNS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1OC
InChIInChI=1S/C19H24N2O6S/c1-5-27-18-16(25-3)10-13(11-17(18)26-4)12-21-28(23,24)15-8-6-14(7-9-15)19(22)20-2/h6-11,21H,5,12H2,1-4H3,(H,20,22)
InChIKeyTUQFCOYCLCMEIH-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.94
Rot. Bonds9

About 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide

4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide (PubChem CID 49245676) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide
PubChem CID49245676
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide
SMILESCCOc1c(OC)cc(CNS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1OC
InChIInChI=1S/C19H24N2O6S/c1-5-27-18-16(25-3)10-13(11-17(18)26-4)12-21-28(23,24)15-8-6-14(7-9-15)19(22)20-2/h6-11,21H,5,12H2,1-4H3,(H,20,22)
InChIKeyTUQFCOYCLCMEIH-UHFFFAOYSA-N
XLogP1.94
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 47087762
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
4-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide
CID 33316587
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide
CID 51109848
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide (CID 49245676) is 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide is CCOc1c(OC)cc(CNS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1OC.
What is the InChIKey of 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide?
The InChIKey is TUQFCOYCLCMEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-5-27-18-16(25-3)10-13(11-17(18)26-4)12-21-28(23,24)15-8-6-14(7-9-15)19(22)20-2/h6-11,21H,5,12H2,1-4H3,(H,20,22).
What are the key properties of 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide?
4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 49245676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).