2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide

C23H24N2O4S2 — CID 92649173

IUPAC2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4S2/c1-3-25(31(27,28)22-10-5-4-6-11-22)19-12-14-20(15-13-19)29-17-23(26)24-18-8-7-9-21(16-18)30-2/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyUFWINMJCPUQFFA-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.64
Rot. Bonds9

About 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 92649173) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID92649173
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCN(c1ccc(OCC(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4S2/c1-3-25(31(27,28)22-10-5-4-6-11-22)19-12-14-20(15-13-19)29-17-23(26)24-18-8-7-9-21(16-18)30-2/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyUFWINMJCPUQFFA-UHFFFAOYSA-N
XLogP4.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide 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

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-phenylacetamide
CID 17247287
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 17247177
N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247359
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17247121
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
CID 17247131
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1294898
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2928712
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2174929
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide (CID 92649173) is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide is CCN(c1ccc(OCC(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is UFWINMJCPUQFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-3-25(31(27,28)22-10-5-4-6-11-22)19-12-14-20(15-13-19)29-17-23(26)24-18-8-7-9-21(16-18)30-2/h4-16H,3,17H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide?
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 92649173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).