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

C25H24N2O3S3 — CID 1450014

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

(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 1450014) has the molecular formula C25H24N2O3S3 and a molecular weight of 496.68 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
• PubChem CID: 1450014
• Molecular Formula: C25H24N2O3S3
• Molecular Weight: 496.68 g/mol
• Exact Mass: 496.09
• IUPAC Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
• SMILES: COc1ccc(CNC(=O)[C@H](c2cccs2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1
• InChI: InChI=1S/C25H24N2O3S3/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-4-14-33-22)27(17-21-6-3-13-32-21)23(28)15-20-5-2-12-31-20/h2-14,24H,15-17H2,1H3,(H,26,29)/t24-/m0/s1
• InChIKey: DRSFEXQNECWRDD-DEOSSOPVSA-N
• XLogP: 5.51
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.68
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (CID 1450014) is (2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.

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

The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(CNC(=O)[C@H](c2cccs2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1.

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

The InChIKey is DRSFEXQNECWRDD-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N2O3S3/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-4-14-33-22)27(17-21-6-3-13-32-21)23(28)15-20-5-2-12-31-20/h2-14,24H,15-17H2,1H3,(H,26,29)/t24-/m0/s1.

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

(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 496.68 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 1450014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).