4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide

C21H28N2O6S — CID 90613417

IUPAC4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H28N2O6S/c1-5-23(6-2)30(26,27)17-10-7-15(8-11-17)21(25)22-14-18(24)16-9-12-19(28-3)20(13-16)29-4/h7-13,18,24H,5-6,14H2,1-4H3,(H,22,25)
InChIKeyOCJNEMRDULVJIY-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.20
Rot. Bonds10

About 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide (PubChem CID 90613417) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
PubChem CID90613417
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H28N2O6S/c1-5-23(6-2)30(26,27)17-10-7-15(8-11-17)21(25)22-14-18(24)16-9-12-19(28-3)20(13-16)29-4/h7-13,18,24H,5-6,14H2,1-4H3,(H,22,25)
InChIKeyOCJNEMRDULVJIY-UHFFFAOYSA-N
XLogP2.20
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide 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

4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 31398138
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55454405
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide (CID 90613417) is 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
The InChIKey is OCJNEMRDULVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-5-23(6-2)30(26,27)17-10-7-15(8-11-17)21(25)22-14-18(24)16-9-12-19(28-3)20(13-16)29-4/h7-13,18,24H,5-6,14H2,1-4H3,(H,22,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 90613417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).