3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide

C24H26N2O4S — CID 43875867

IUPAC3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-20-15-13-19(14-16-20)18(3)25-24(27)22-11-8-12-23(17(22)2)26-31(28,29)21-9-6-5-7-10-21/h5-16,18,26H,4H2,1-3H3,(H,25,27)
InChIKeyPJARYEMKQBGEER-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.69
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide

3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide (PubChem CID 43875867) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
PubChem CID43875867
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-20-15-13-19(14-16-20)18(3)25-24(27)22-11-8-12-23(17(22)2)26-31(28,29)21-9-6-5-7-10-21/h5-16,18,26H,4H2,1-3H3,(H,25,27)
InChIKeyPJARYEMKQBGEER-UHFFFAOYSA-N
XLogP4.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-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-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 43907517
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875279
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253
methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062466
3-(benzenesulfonamido)-2-methyl-N-(2-phenylpropyl)benzamide
CID 133163880
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 25360739

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide (CID 43875867) is 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide is CCOc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide?
The InChIKey is PJARYEMKQBGEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-30-20-15-13-19(14-16-20)18(3)25-24(27)22-11-8-12-23(17(22)2)26-31(28,29)21-9-6-5-7-10-21/h5-16,18,26H,4H2,1-3H3,(H,25,27).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide?
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 43875867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).