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

C23H27N3O4S2 — CID 24646988

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

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 24646988) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 24646988
• Molecular Formula: C23H27N3O4S2
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.14
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• SMILES: COc1ccc(C(CNC(=O)Cc2csc(-c3cccs3)n2)N2CCOCC2)cc1OC
• InChI: InChI=1S/C23H27N3O4S2/c1-28-19-6-5-16(12-20(19)29-2)18(26-7-9-30-10-8-26)14-24-22(27)13-17-15-32-23(25-17)21-4-3-11-31-21/h3-6,11-12,15,18H,7-10,13-14H2,1-2H3,(H,24,27)
• InChIKey: MBHFDKQNDQGQLX-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 24646988) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

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

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is COc1ccc(C(CNC(=O)Cc2csc(-c3cccs3)n2)N2CCOCC2)cc1OC.

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

The InChIKey is MBHFDKQNDQGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-28-19-6-5-16(12-20(19)29-2)18(26-7-9-30-10-8-26)14-24-22(27)13-17-15-32-23(25-17)21-4-3-11-31-21/h3-6,11-12,15,18H,7-10,13-14H2,1-2H3,(H,24,27).

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

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 473.62 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 24646988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).