4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide

C22H23N3O3S — CID 27463148

About 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide

4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 27463148) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 27463148
• Molecular Formula: C22H23N3O3S
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.15
• IUPAC Name: 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1
• InChI: InChI=1S/C22H23N3O3S/c1-13-9-14(2)20(15(3)10-13)24-19(26)11-17-12-29-22(23-17)25-21(27)16-5-7-18(28-4)8-6-16/h5-10,12H,11H2,1-4H3,(H,24,26)(H,23,25,27)
• InChIKey: WFEHLSDBLCNAPG-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 27463148) is 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1.

What is the InChIKey of 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is WFEHLSDBLCNAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-13-9-14(2)20(15(3)10-13)24-19(26)11-17-12-29-22(23-17)25-21(27)16-5-7-18(28-4)8-6-16/h5-10,12H,11H2,1-4H3,(H,24,26)(H,23,25,27).

What are the key properties of 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?

4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 27463148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).