2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide

C27H28N2O2S — CID 112762206

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 112762206) has the molecular formula C27H28N2O2S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide
• PubChem CID: 112762206
• Molecular Formula: C27H28N2O2S
• Molecular Weight: 444.60 g/mol
• Exact Mass: 444.19
• IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide
• SMILES: CCc1ccc(C(C)NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1
• InChI: InChI=1S/C27H28N2O2S/c1-3-20-12-14-21(15-13-20)19(2)28-27(31)23-9-5-7-11-25(23)32-18-26(30)29-17-16-22-8-4-6-10-24(22)29/h4-15,19H,3,16-18H2,1-2H3,(H,28,31)
• InChIKey: WYGPKILXRGNHIY-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.60
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide?

The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide (CID 112762206) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide.

What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide?

The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide is CCc1ccc(C(C)NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1.

What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide?

The InChIKey is WYGPKILXRGNHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S/c1-3-20-12-14-21(15-13-20)19(2)28-27(31)23-9-5-7-11-25(23)32-18-26(30)29-17-16-22-8-4-6-10-24(22)29/h4-15,19H,3,16-18H2,1-2H3,(H,28,31).

What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide?

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 112762206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).