(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide

C28H24N2O4S — CID 1434542

About (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide

(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide (PubChem CID 1434542) has the molecular formula C28H24N2O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide
• PubChem CID: 1434542
• Molecular Formula: C28H24N2O4S
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.15
• IUPAC Name: (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide
• SMILES: O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C28H24N2O4S/c31-26(17-23-12-7-15-35-23)30(22-13-14-24-25(16-22)34-19-33-24)27(21-10-5-2-6-11-21)28(32)29-18-20-8-3-1-4-9-20/h1-16,27H,17-19H2,(H,29,32)/t27-/m1/s1
• InChIKey: CYPOPIOYODKCNN-HHHXNRCGSA-N
• XLogP: 5.11
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide?

The IUPAC name of (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide (CID 1434542) is (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide?

The canonical SMILES for (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide is O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCO2.

What is the InChIKey of (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide?

The InChIKey is CYPOPIOYODKCNN-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H24N2O4S/c31-26(17-23-12-7-15-35-23)30(22-13-14-24-25(16-22)34-19-33-24)27(21-10-5-2-6-11-21)28(32)29-18-20-8-3-1-4-9-20/h1-16,27H,17-19H2,(H,29,32)/t27-/m1/s1.

What are the key properties of (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide?

(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide has a molecular weight of 484.58 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide is sourced from PubChem (CID 1434542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).