2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide

C20H22N2OS — CID 674273

IUPAC2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESCSc1c(CC(=O)NCCc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C20H22N2OS/c1-22-17-11-7-6-10-16(17)20(24-2)18(22)14-19(23)21-13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyQLGXJJIJDJXCJV-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.80
Rot. Bonds6

About 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide

2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 674273) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID674273
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESCSc1c(CC(=O)NCCc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C20H22N2OS/c1-22-17-11-7-6-10-16(17)20(24-2)18(22)14-19(23)21-13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyQLGXJJIJDJXCJV-UHFFFAOYSA-N
XLogP3.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)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-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
CID 555263
N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
CID 630980
2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113211396
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea
CID 16918063
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
2-(1-methyl-3-phenylsulfanylindol-2-yl)acetate
CID 4623225
N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773689

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide (CID 674273) is 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide is CSc1c(CC(=O)NCCc2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is QLGXJJIJDJXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-22-17-11-7-6-10-16(17)20(24-2)18(22)14-19(23)21-13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide?
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 338.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 674273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).