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

C20H17N3O2S2 — CID 2525969

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

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2525969) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
• PubChem CID: 2525969
• Molecular Formula: C20H17N3O2S2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.08
• IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
• SMILES: O=C(Nc1nccs1)c1ccccc1SCC(=O)N1CCc2ccccc21
• InChI: InChI=1S/C20H17N3O2S2/c24-18(23-11-9-14-5-1-3-7-16(14)23)13-27-17-8-4-2-6-15(17)19(25)22-20-21-10-12-26-20/h1-8,10,12H,9,11,13H2,(H,21,22,25)
• InChIKey: HUNNZYKJKWPZBE-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide (CID 2525969) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide.

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

The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccccc1SCC(=O)N1CCc2ccccc21.

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

The InChIKey is HUNNZYKJKWPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c24-18(23-11-9-14-5-1-3-7-16(14)23)13-27-17-8-4-2-6-15(17)19(25)22-20-21-10-12-26-20/h1-8,10,12H,9,11,13H2,(H,21,22,25).

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

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 395.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2525969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).