2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide

C30H35N3O3S — CID 67268137

About 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide (PubChem CID 67268137) has the molecular formula C30H35N3O3S and a molecular weight of 517.70 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide
• PubChem CID: 67268137
• Molecular Formula: C30H35N3O3S
• Molecular Weight: 517.70 g/mol
• Exact Mass: 517.24
• IUPAC Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide
• SMILES: CCC(=O)CCCCCC(NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1cnc(-c2ccccc2)s1
• InChI: InChI=1S/C30H35N3O3S/c1-4-22(34)13-9-6-10-14-27(28-19-31-30(37-28)21-11-7-5-8-12-21)33-29(35)18-24-20(2)32-26-16-15-23(36-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,32H,4,6,9-10,13-14,18H2,1-3H3,(H,33,35)
• InChIKey: GQPFXYVURNJILQ-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 84.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.70
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide?

The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide (CID 67268137) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide.

What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide?

The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide is CCC(=O)CCCCCC(NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1cnc(-c2ccccc2)s1.

What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide?

The InChIKey is GQPFXYVURNJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3S/c1-4-22(34)13-9-6-10-14-27(28-19-31-30(37-28)21-11-7-5-8-12-21)33-29(35)18-24-20(2)32-26-16-15-23(36-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,32H,4,6,9-10,13-14,18H2,1-3H3,(H,33,35).

What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide?

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide has a molecular weight of 517.70 g/mol, XLogP of 6.94, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(2-phenyl-1,3-thiazol-5-yl)nonyl]acetamide is sourced from PubChem (CID 67268137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).