N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C22H25N3O2S2 — CID 46446899

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46446899) has the molecular formula C22H25N3O2S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 46446899
• Molecular Formula: C22H25N3O2S2
• Molecular Weight: 427.60 g/mol
• Exact Mass: 427.14
• IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
• SMILES: COc1cccc(C(CNC(=O)Cc2csc(-c3ccsc3)n2)N2CCCC2)c1
• InChI: InChI=1S/C22H25N3O2S2/c1-27-19-6-4-5-16(11-19)20(25-8-2-3-9-25)13-23-21(26)12-18-15-29-22(24-18)17-7-10-28-14-17/h4-7,10-11,14-15,20H,2-3,8-9,12-13H2,1H3,(H,23,26)
• InChIKey: XQKUEYRLPGBXLX-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.60
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 46446899) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is COc1cccc(C(CNC(=O)Cc2csc(-c3ccsc3)n2)N2CCCC2)c1.

What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

The InChIKey is XQKUEYRLPGBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S2/c1-27-19-6-4-5-16(11-19)20(25-8-2-3-9-25)13-23-21(26)12-18-15-29-22(24-18)17-7-10-28-14-17/h4-7,10-11,14-15,20H,2-3,8-9,12-13H2,1H3,(H,23,26).

What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 427.60 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46446899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).