4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide

C24H26N2O5S — CID 38009998

IUPAC4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-26(16-15-18-9-14-22(30-2)23(17-18)31-3)24(27)19-10-12-20(13-11-19)25-32(28,29)21-7-5-4-6-8-21/h4-14,17,25H,15-16H2,1-3H3
InChIKeySEJOZMYOKLWICV-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.82
Rot. Bonds9

About 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide

4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 38009998) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID38009998
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-26(16-15-18-9-14-22(30-2)23(17-18)31-3)24(27)19-10-12-20(13-11-19)25-32(28,29)21-7-5-4-6-8-21/h4-14,17,25H,15-16H2,1-3H3
InChIKeySEJOZMYOKLWICV-UHFFFAOYSA-N
XLogP3.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26826237
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 26826251
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9468496
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26826181
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916876
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide (CID 38009998) is 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide is COc1ccc(CCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is SEJOZMYOKLWICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-26(16-15-18-9-14-22(30-2)23(17-18)31-3)24(27)19-10-12-20(13-11-19)25-32(28,29)21-7-5-4-6-8-21/h4-14,17,25H,15-16H2,1-3H3.
What are the key properties of 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide?
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 38009998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).