2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide

C21H26N2O4S2 — CID 22304789

IUPAC2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCSc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O4S2/c1-15-5-10-19(22-14-21(24)23-13-16-4-3-11-27-16)20(12-15)29(25,26)18-8-6-17(28-2)7-9-18/h5-10,12,16,22H,3-4,11,13-14H2,1-2H3,(H,23,24)
InChIKeyBVUNGDGJGRIWLS-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.26
Rot. Bonds8

About 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide

2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 22304789) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID22304789
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC Name2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCSc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O4S2/c1-15-5-10-19(22-14-21(24)23-13-16-4-3-11-27-16)20(12-15)29(25,26)18-8-6-17(28-2)7-9-18/h5-10,12,16,22H,3-4,11,13-14H2,1-2H3,(H,23,24)
InChIKeyBVUNGDGJGRIWLS-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)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-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
1-(4-methylsulfanylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 7445179
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methylsulfanylbenzoate
CID 8507972
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 125061925
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2233372

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide (CID 22304789) is 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide is CSc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BVUNGDGJGRIWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-15-5-10-19(22-14-21(24)23-13-16-4-3-11-27-16)20(12-15)29(25,26)18-8-6-17(28-2)7-9-18/h5-10,12,16,22H,3-4,11,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 434.58 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 22304789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).