4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide

C23H25N3O4S — CID 55893462

About 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide

4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 55893462) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
• PubChem CID: 55893462
• Molecular Formula: C23H25N3O4S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.16
• IUPAC Name: 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
• SMILES: COc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1
• InChI: InChI=1S/C23H25N3O4S/c1-15-5-8-18(9-6-15)30-13-22-24-17(14-31-22)12-21(27)25-19-11-16(23(28)26(2)3)7-10-20(19)29-4/h5-11,14H,12-13H2,1-4H3,(H,25,27)
• InChIKey: ZEORMZQRJUTJST-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?

The IUPAC name of 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 55893462) is 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?

The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1.

What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?

The InChIKey is ZEORMZQRJUTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15-5-8-18(9-6-15)30-13-22-24-17(14-31-22)12-21(27)25-19-11-16(23(28)26(2)3)7-10-20(19)29-4/h5-11,14H,12-13H2,1-4H3,(H,25,27).

What are the key properties of 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?

4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 439.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).