2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide

C24H22N2OS — CID 1260556

IUPAC2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
SMILESCSc1c(CC(=O)Nc2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H22N2OS/c1-28-24-20-14-8-9-15-21(20)26(17-18-10-4-2-5-11-18)22(24)16-23(27)25-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeyBFAWWJBCXDTUNY-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.59
Rot. Bonds6

About 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide

2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide (PubChem CID 1260556) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
PubChem CID1260556
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
SMILESCSc1c(CC(=O)Nc2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H22N2OS/c1-28-24-20-14-8-9-15-21(20)26(17-18-10-4-2-5-11-18)22(24)16-23(27)25-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeyBFAWWJBCXDTUNY-UHFFFAOYSA-N
XLogP5.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide (CID 1260556) is 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide is CSc1c(CC(=O)Nc2ccccc2)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
The InChIKey is BFAWWJBCXDTUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-28-24-20-14-8-9-15-21(20)26(17-18-10-4-2-5-11-18)22(24)16-23(27)25-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,27).
What are the key properties of 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide?
2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide has a molecular weight of 386.52 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 1260556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).