N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide

C20H26N2O6S — CID 45373626

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C20H26N2O6S/c1-5-22-29(24,25)19-13-15(7-9-17(19)27-3)20(23)21-11-10-14-6-8-16(26-2)18(12-14)28-4/h6-9,12-13,22H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyOAFGDDXURFIPJB-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.98
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide (PubChem CID 45373626) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
PubChem CID45373626
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C20H26N2O6S/c1-5-22-29(24,25)19-13-15(7-9-17(19)27-3)20(23)21-11-10-14-6-8-16(26-2)18(12-14)28-4/h6-9,12-13,22H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyOAFGDDXURFIPJB-UHFFFAOYSA-N
XLogP1.98
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide 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

3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide (CID 45373626) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide is CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is OAFGDDXURFIPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-5-22-29(24,25)19-13-15(7-9-17(19)27-3)20(23)21-11-10-14-6-8-16(26-2)18(12-14)28-4/h6-9,12-13,22H,5,10-11H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 422.50 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 45373626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).