N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide

C26H28N2O5S — CID 24587578

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide (PubChem CID 24587578) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide
• PubChem CID: 24587578
• Molecular Formula: C26H28N2O5S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.17
• IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide
• SMILES: COc1ccc(CN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)C(C)Cc2cccs2)cc1
• InChI: InChI=1S/C26H28N2O5S/c1-17(11-21-5-4-10-34-21)28(14-19-6-8-20(31-3)9-7-19)15-26(30)27-23-13-25-24(32-16-33-25)12-22(23)18(2)29/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,27,30)
• InChIKey: COHBPDBPFVRMCE-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide?

The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide (CID 24587578) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide.

What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide?

The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide is COc1ccc(CN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)C(C)Cc2cccs2)cc1.

What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide?

The InChIKey is COHBPDBPFVRMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-17(11-21-5-4-10-34-21)28(14-19-6-8-20(31-3)9-7-19)15-26(30)27-23-13-25-24(32-16-33-25)12-22(23)18(2)29/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,27,30).

What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide?

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide has a molecular weight of 480.59 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide is sourced from PubChem (CID 24587578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).