2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C23H28ClN5O3S — CID 42948771

About 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 42948771) has the molecular formula C23H28ClN5O3S and a molecular weight of 490.03 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
• PubChem CID: 42948771
• Molecular Formula: C23H28ClN5O3S
• Molecular Weight: 490.03 g/mol
• Exact Mass: 489.16
• IUPAC Name: 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
• SMILES: CCC1(C)NC(=O)N(NC(=O)CN2CCN(Cc3ccc(-c4ccc(Cl)cc4)s3)CC2)C1=O
• InChI: InChI=1S/C23H28ClN5O3S/c1-3-23(2)21(31)29(22(32)25-23)26-20(30)15-28-12-10-27(11-13-28)14-18-8-9-19(33-18)16-4-6-17(24)7-5-16/h4-9H,3,10-15H2,1-2H3,(H,25,32)(H,26,30)
• InChIKey: MKVZTTQHJKHDAE-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.03
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

The IUPAC name of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 42948771) is 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC1(C)NC(=O)N(NC(=O)CN2CCN(Cc3ccc(-c4ccc(Cl)cc4)s3)CC2)C1=O.

What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

The InChIKey is MKVZTTQHJKHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3S/c1-3-23(2)21(31)29(22(32)25-23)26-20(30)15-28-12-10-27(11-13-28)14-18-8-9-19(33-18)16-4-6-17(24)7-5-16/h4-9H,3,10-15H2,1-2H3,(H,25,32)(H,26,30).

What are the key properties of 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?

2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 490.03 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42948771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).