2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

C17H20N2O3S2 — CID 1308148

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-4-8-15(10-13)19(24(3,21)22)12-17(20)18-14-7-5-9-16(11-14)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWKOAMAGRSCEVAL-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.12
Rot. Bonds6

About 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 1308148) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID1308148
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-4-8-15(10-13)19(24(3,21)22)12-17(20)18-14-7-5-9-16(11-14)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWKOAMAGRSCEVAL-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-N-methylsulfonylanilino)-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

N~2~-cyclohexyl-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)phenyl]glycinamide
CID 2202359
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-(4-acetamidophenyl)-2-(N-ethyl-2-phenylethenesulfonamido)acetamide
CID 2546747
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997
1-[(4-methylphenyl)sulfonyl]-N-[3-(methylthio)phenyl]cyclopropanecarboxamide
CID 6621576
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-benzenesulfonamide
CID 648839

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (CID 1308148) is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is WKOAMAGRSCEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-6-4-8-15(10-13)19(24(3,21)22)12-17(20)18-14-7-5-9-16(11-14)23-2/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1308148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).