2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C25H23N3O4S — CID 46824856

About 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 46824856) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
• PubChem CID: 46824856
• Molecular Formula: C25H23N3O4S
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.14
• IUPAC Name: 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
• SMILES: Cc1ccc(C(NC(=O)CN2C(=O)NC3(CCOc4ccccc43)C2=O)c2cccs2)cc1
• InChI: InChI=1S/C25H23N3O4S/c1-16-8-10-17(11-9-16)22(20-7-4-14-33-20)26-21(29)15-28-23(30)25(27-24(28)31)12-13-32-19-6-3-2-5-18(19)25/h2-11,14,22H,12-13,15H2,1H3,(H,26,29)(H,27,31)
• InChIKey: VLFQYDASDDERAC-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 46824856) is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is Cc1ccc(C(NC(=O)CN2C(=O)NC3(CCOc4ccccc43)C2=O)c2cccs2)cc1.

What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

The InChIKey is VLFQYDASDDERAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-16-8-10-17(11-9-16)22(20-7-4-14-33-20)26-21(29)15-28-23(30)25(27-24(28)31)12-13-32-19-6-3-2-5-18(19)25/h2-11,14,22H,12-13,15H2,1H3,(H,26,29)(H,27,31).

What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 46824856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).