2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide

C28H24N2O2S — CID 112816205

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

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 112816205) has the molecular formula C28H24N2O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide
• PubChem CID: 112816205
• Molecular Formula: C28H24N2O2S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.16
• IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide
• SMILES: O=C(NCc1cccc2ccccc12)c1ccccc1SCC(=O)N1CCc2ccccc21
• InChI: InChI=1S/C28H24N2O2S/c31-27(30-17-16-21-9-2-5-14-25(21)30)19-33-26-15-6-4-13-24(26)28(32)29-18-22-11-7-10-20-8-1-3-12-23(20)22/h1-15H,16-19H2,(H,29,32)
• InChIKey: PUTDUBOLTYZUAI-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	5.45
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-(naphthalen-1-ylmethyl)benzamide?

The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide (CID 112816205) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide.

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

The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide is O=C(NCc1cccc2ccccc12)c1ccccc1SCC(=O)N1CCc2ccccc21.

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

The InChIKey is PUTDUBOLTYZUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2S/c31-27(30-17-16-21-9-2-5-14-25(21)30)19-33-26-15-6-4-13-24(26)28(32)29-18-22-11-7-10-20-8-1-3-12-23(20)22/h1-15H,16-19H2,(H,29,32).

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

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 5.45, 6 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-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 112816205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).