2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C24H23N3O2S2 — CID 56571196

About 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56571196) has the molecular formula C24H23N3O2S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
• PubChem CID: 56571196
• Molecular Formula: C24H23N3O2S2
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.12
• IUPAC Name: 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
• SMILES: COc1ccc(N(CC(=O)NC(c2ccccc2)c2nccs2)Cc2cccs2)cc1
• InChI: InChI=1S/C24H23N3O2S2/c1-29-20-11-9-19(10-12-20)27(16-21-8-5-14-30-21)17-22(28)26-23(24-25-13-15-31-24)18-6-3-2-4-7-18/h2-15,23H,16-17H2,1H3,(H,26,28)
• InChIKey: GNFWKUIGJZGSEG-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56571196) is 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is COc1ccc(N(CC(=O)NC(c2ccccc2)c2nccs2)Cc2cccs2)cc1.

What is the InChIKey of 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The InChIKey is GNFWKUIGJZGSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S2/c1-29-20-11-9-19(10-12-20)27(16-21-8-5-14-30-21)17-22(28)26-23(24-25-13-15-31-24)18-6-3-2-4-7-18/h2-15,23H,16-17H2,1H3,(H,26,28).

What are the key properties of 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?

2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 449.60 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56571196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).