N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide

C22H24N2O3S — CID 112983555

IUPACN-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CCNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-17-7-13-21(14-8-17)28(25,26)24-20-11-9-19(10-12-20)23-16-15-18-5-3-4-6-22(18)27-2/h3-14,23-24H,15-16H2,1-2H3
InChIKeyKAWJKWPEVJRATR-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.46
Rot. Bonds8

About N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide

N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide (PubChem CID 112983555) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
PubChem CID112983555
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CCNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-17-7-13-21(14-8-17)28(25,26)24-20-11-9-19(10-12-20)23-16-15-18-5-3-4-6-22(18)27-2/h3-14,23-24H,15-16H2,1-2H3
InChIKeyKAWJKWPEVJRATR-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide 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-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 42869159
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254823
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide (CID 112983555) is N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide is COc1ccccc1CCNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KAWJKWPEVJRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-17-7-13-21(14-8-17)28(25,26)24-20-11-9-19(10-12-20)23-16-15-18-5-3-4-6-22(18)27-2/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide?
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 112983555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).