1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone

C23H15NOS — CID 11035598

IUPAC1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(-c3ccccc3)c3c4ccccc4nc-3sc2c1
InChIInChI=1S/C23H15NOS/c1-14(25)16-11-12-18-20(13-16)26-23-22(17-9-5-6-10-19(17)24-23)21(18)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyNCSFUJPHKZCMIH-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.42
Rot. Bonds2

About 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone

1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone (PubChem CID 11035598) has the molecular formula C23H15NOS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone
PubChem CID11035598
Molecular FormulaC23H15NOS
Molecular Weight353.45 g/mol
Exact Mass353.09
IUPAC Name1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(-c3ccccc3)c3c4ccccc4nc-3sc2c1
InChIInChI=1S/C23H15NOS/c1-14(25)16-11-12-18-20(13-16)26-23-22(17-9-5-6-10-19(17)24-23)21(18)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyNCSFUJPHKZCMIH-UHFFFAOYSA-N
XLogP6.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone 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 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone?
The IUPAC name of 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone (CID 11035598) is 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone.
What is the SMILES notation for 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone?
The canonical SMILES for 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone is CC(=O)c1ccc2c(-c3ccccc3)c3c4ccccc4nc-3sc2c1.
What is the InChIKey of 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone?
The InChIKey is NCSFUJPHKZCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS/c1-14(25)16-11-12-18-20(13-16)26-23-22(17-9-5-6-10-19(17)24-23)21(18)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone?
1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone has a molecular weight of 353.45 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone is sourced from PubChem (CID 11035598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).