2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide

C29H24N2O4S — CID 108738431

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide (PubChem CID 108738431) has the molecular formula C29H24N2O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
• PubChem CID: 108738431
• Molecular Formula: C29H24N2O4S
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.15
• IUPAC Name: 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
• SMILES: Cc1ccc(-c2csc(-c3ccc(CNC(=O)COc4ccc5c(C)cc(=O)oc5c4)cc3)n2)cc1
• InChI: InChI=1S/C29H24N2O4S/c1-18-3-7-21(8-4-18)25-17-36-29(31-25)22-9-5-20(6-10-22)15-30-27(32)16-34-23-11-12-24-19(2)13-28(33)35-26(24)14-23/h3-14,17H,15-16H2,1-2H3,(H,30,32)
• InChIKey: GTEPENGCCDKOQB-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?

The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide (CID 108738431) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide.

What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?

The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide is Cc1ccc(-c2csc(-c3ccc(CNC(=O)COc4ccc5c(C)cc(=O)oc5c4)cc3)n2)cc1.

What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?

The InChIKey is GTEPENGCCDKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4S/c1-18-3-7-21(8-4-18)25-17-36-29(31-25)22-9-5-20(6-10-22)15-30-27(32)16-34-23-11-12-24-19(2)13-28(33)35-26(24)14-23/h3-14,17H,15-16H2,1-2H3,(H,30,32).

What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide?

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide has a molecular weight of 496.59 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 108738431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).