(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

C25H24N2O5S — CID 1449980

About (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 1449980) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
• PubChem CID: 1449980
• Molecular Formula: C25H24N2O5S
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.14
• IUPAC Name: (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
• SMILES: COc1ccc(CNC(=O)[C@@H](c2ccco2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1
• InChI: InChI=1S/C25H24N2O5S/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-3-13-32-22)27(17-20-5-2-12-31-20)23(28)15-21-6-4-14-33-21/h2-14,24H,15-17H2,1H3,(H,26,29)/t24-/m1/s1
• InChIKey: PCCBWYZANHNLIH-XMMPIXPASA-N
• XLogP: 4.57
• TPSA: 84.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?

The IUPAC name of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 1449980) is (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

What is the SMILES notation for (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?

The canonical SMILES for (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)[C@@H](c2ccco2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1.

What is the InChIKey of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?

The InChIKey is PCCBWYZANHNLIH-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-3-13-32-22)27(17-20-5-2-12-31-20)23(28)15-21-6-4-14-33-21/h2-14,24H,15-17H2,1H3,(H,26,29)/t24-/m1/s1.

What are the key properties of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?

(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 464.54 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1449980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).