2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide

C17H22ClN3O4S — CID 124861270

About 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide

2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide (PubChem CID 124861270) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
• PubChem CID: 124861270
• Molecular Formula: C17H22ClN3O4S
• Molecular Weight: 399.90 g/mol
• Exact Mass: 399.10
• IUPAC Name: 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
• SMILES: CSCC[C@@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O
• InChI: InChI=1S/C17H22ClN3O4S/c1-26-6-5-13(10-22)19-15(23)8-14-16(24)21(17(25)20-14)9-11-3-2-4-12(18)7-11/h2-4,7,13-14,22H,5-6,8-10H2,1H3,(H,19,23)(H,20,25)/t13-,14+/m0/s1
• InChIKey: HCCFPYNEQOYOSC-UONOGXRCSA-N
• XLogP: 1.38
• TPSA: 98.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.90
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
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-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide?

The IUPAC name of 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide (CID 124861270) is 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide.

What is the SMILES notation for 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide?

The canonical SMILES for 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide is CSCC[C@@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O.

What is the InChIKey of 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide?

The InChIKey is HCCFPYNEQOYOSC-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22ClN3O4S/c1-26-6-5-13(10-22)19-15(23)8-14-16(24)21(17(25)20-14)9-11-3-2-4-12(18)7-11/h2-4,7,13-14,22H,5-6,8-10H2,1H3,(H,19,23)(H,20,25)/t13-,14+/m0/s1.

What are the key properties of 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide?

2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide has a molecular weight of 399.90 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide is sourced from PubChem (CID 124861270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).