2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide

C33H45N3O8S — CID 170705250

About 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide

2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 170705250) has the molecular formula C33H45N3O8S and a molecular weight of 643.80 g/mol. Its IUPAC name is 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 170705250
• Molecular Formula: C33H45N3O8S
• Molecular Weight: 643.80 g/mol
• Exact Mass: 643.29
• IUPAC Name: 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: Cc1sc(NC(=O)Cc2cccc(OCCOCCOCCOCCOCCOCCO)c2)nc1-c1ccc2c(c1)CCN2C
• InChI: InChI=1S/C33H45N3O8S/c1-25-32(28-6-7-30-27(24-28)8-9-36(30)2)35-33(45-25)34-31(38)23-26-4-3-5-29(22-26)44-21-20-43-19-18-42-17-16-41-15-14-40-13-12-39-11-10-37/h3-7,22,24,37H,8-21,23H2,1-2H3,(H,34,35,38)
• InChIKey: CLXJFVALPMQYCO-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 120.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.80
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 170705250) is 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)Cc2cccc(OCCOCCOCCOCCOCCOCCO)c2)nc1-c1ccc2c(c1)CCN2C.

What is the InChIKey of 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is CLXJFVALPMQYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N3O8S/c1-25-32(28-6-7-30-27(24-28)8-9-36(30)2)35-33(45-25)34-31(38)23-26-4-3-5-29(22-26)44-21-20-43-19-18-42-17-16-41-15-14-40-13-12-39-11-10-37/h3-7,22,24,37H,8-21,23H2,1-2H3,(H,34,35,38).

What are the key properties of 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?

2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 643.80 g/mol, XLogP of 3.75, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-[5-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 170705250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).