3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide

C28H26N2O5S — CID 161354696

About 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide (PubChem CID 161354696) has the molecular formula C28H26N2O5S and a molecular weight of 502.59 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide
• PubChem CID: 161354696
• Molecular Formula: C28H26N2O5S
• Molecular Weight: 502.59 g/mol
• Exact Mass: 502.16
• IUPAC Name: 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)CCc4ccccc4)c(OC)c3)n2)cc1
• InChI: InChI=1S/C28H26N2O5S/c1-33-23-13-9-20(10-14-23)24-18-36-28(29-24)30-27(32)21-11-15-25(26(16-21)34-2)35-17-22(31)12-8-19-6-4-3-5-7-19/h3-7,9-11,13-16,18H,8,12,17H2,1-2H3,(H,29,30,32)
• InChIKey: VOJPAVLBDUBIQR-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.59
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide (CID 161354696) is 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide.

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

The canonical SMILES for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)CCc4ccccc4)c(OC)c3)n2)cc1.

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

The InChIKey is VOJPAVLBDUBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5S/c1-33-23-13-9-20(10-14-23)24-18-36-28(29-24)30-27(32)21-11-15-25(26(16-21)34-2)35-17-22(31)12-8-19-6-4-3-5-7-19/h3-7,9-11,13-16,18H,8,12,17H2,1-2H3,(H,29,30,32).

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

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide has a molecular weight of 502.59 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide is sourced from PubChem (CID 161354696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).