1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone

C17H17NOS — CID 738380

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NOS/c1-13-6-8-15(9-7-13)20-12-17(19)18-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3
InChIKeyHNQAMJPNGVKODD-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.68
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 738380) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID738380
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NOS/c1-13-6-8-15(9-7-13)20-12-17(19)18-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3
InChIKeyHNQAMJPNGVKODD-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone 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-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone (CID 738380) is 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is HNQAMJPNGVKODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-6-8-15(9-7-13)20-12-17(19)18-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 283.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 738380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).