N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C29H27N3O2S — CID 55450413

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55450413) has the molecular formula C29H27N3O2S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
• PubChem CID: 55450413
• Molecular Formula: C29H27N3O2S
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.18
• IUPAC Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
• SMILES: Cc1ccc(OCc2nc(CC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)cs2)cc1
• InChI: InChI=1S/C29H27N3O2S/c1-20-11-13-23(14-12-20)34-18-29-32-22(19-35-29)15-28(33)31-16-25(21-7-3-2-4-8-21)26-17-30-27-10-6-5-9-24(26)27/h2-14,17,19,25,30H,15-16,18H2,1H3,(H,31,33)
• InChIKey: VLFJRACPAUEEOM-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 55450413) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)cs2)cc1.

What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?

The InChIKey is VLFJRACPAUEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2S/c1-20-11-13-23(14-12-20)34-18-29-32-22(19-35-29)15-28(33)31-16-25(21-7-3-2-4-8-21)26-17-30-27-10-6-5-9-24(26)27/h2-14,17,19,25,30H,15-16,18H2,1H3,(H,31,33).

What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?

N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 481.62 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55450413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).