2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide

C23H26N2O3S — CID 55678862

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 55678862) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide
• PubChem CID: 55678862
• Molecular Formula: C23H26N2O3S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.17
• IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide
• SMILES: CC(NC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)C1CCCO1
• InChI: InChI=1S/C23H26N2O3S/c1-16(20-10-6-14-28-20)24-23(27)18-8-3-5-11-21(18)29-15-22(26)25-13-12-17-7-2-4-9-19(17)25/h2-5,7-9,11,16,20H,6,10,12-15H2,1H3,(H,24,27)
• InChIKey: WPFQCGOKQYWCAS-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide?

The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 55678862) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide.

What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide?

The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)C1CCCO1.

What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide?

The InChIKey is WPFQCGOKQYWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16(20-10-6-14-28-20)24-23(27)18-8-3-5-11-21(18)29-15-22(26)25-13-12-17-7-2-4-9-19(17)25/h2-5,7-9,11,16,20H,6,10,12-15H2,1H3,(H,24,27).

What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide?

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 55678862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).