(3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C26H28N2O3S — CID 92609800

About (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92609800) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 92609800
• Molecular Formula: C26H28N2O3S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.18
• IUPAC Name: (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2ccccc2OC)C1
• InChI: InChI=1S/C26H28N2O3S/c1-27-25(30)26(16-19-7-9-20(10-8-19)22-11-14-32-17-22)12-13-28(18-26)24(29)15-21-5-3-4-6-23(21)31-2/h3-11,14,17H,12-13,15-16,18H2,1-2H3,(H,27,30)/t26-/m0/s1
• InChIKey: VSMKECFLQPDKEY-SANMLTNESA-N
• XLogP: 4.17
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92609800) is (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2ccccc2OC)C1.

What is the InChIKey of (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is VSMKECFLQPDKEY-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-27-25(30)26(16-19-7-9-20(10-8-19)22-11-14-32-17-22)12-13-28(18-26)24(29)15-21-5-3-4-6-23(21)31-2/h3-11,14,17H,12-13,15-16,18H2,1-2H3,(H,27,30)/t26-/m0/s1.

What are the key properties of (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

(3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92609800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).