N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide

C32H30N2O4S — CID 13478581

About N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide

N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 13478581) has the molecular formula C32H30N2O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 13478581
• Molecular Formula: C32H30N2O4S
• Molecular Weight: 538.67 g/mol
• Exact Mass: 538.19
• IUPAC Name: N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide
• SMILES: COc1ccc(C(c2ccc(OC)cc2)N2C(=O)C(NC(=O)Cc3cccs3)C2/C=C/c2ccccc2)cc1
• InChI: InChI=1S/C32H30N2O4S/c1-37-25-15-11-23(12-16-25)31(24-13-17-26(38-2)18-14-24)34-28(19-10-22-7-4-3-5-8-22)30(32(34)36)33-29(35)21-27-9-6-20-39-27/h3-20,28,30-31H,21H2,1-2H3,(H,33,35)/b19-10+
• InChIKey: KVJREADXMSEGCA-VXLYETTFSA-N
• XLogP: 5.51
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.67
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide (CID 13478581) is N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide is COc1ccc(C(c2ccc(OC)cc2)N2C(=O)C(NC(=O)Cc3cccs3)C2/C=C/c2ccccc2)cc1.

What is the InChIKey of N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide?

The InChIKey is KVJREADXMSEGCA-VXLYETTFSA-N. The full InChI is InChI=1S/C32H30N2O4S/c1-37-25-15-11-23(12-16-25)31(24-13-17-26(38-2)18-14-24)34-28(19-10-22-7-4-3-5-8-22)30(32(34)36)33-29(35)21-27-9-6-20-39-27/h3-20,28,30-31H,21H2,1-2H3,(H,33,35)/b19-10+.

What are the key properties of N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide?

N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 538.67 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 13478581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).