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

C18H25N3O5S — CID 124864253

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

N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 124864253) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 124864253
• Molecular Formula: C18H25N3O5S
• Molecular Weight: 395.48 g/mol
• Exact Mass: 395.15
• IUPAC Name: N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: COc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@@H](CO)CCSC)C2=O)cc1
• InChI: InChI=1S/C18H25N3O5S/c1-26-14-5-3-12(4-6-14)10-21-17(24)15(20-18(21)25)9-16(23)19-13(11-22)7-8-27-2/h3-6,13,15,22H,7-11H2,1-2H3,(H,19,23)(H,20,25)/t13-,15-/m1/s1
• InChIKey: XGLBOTRDEDLQKI-UKRRQHHQSA-N
• XLogP: 0.74
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.48
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
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 N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 124864253) is N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

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

The canonical SMILES for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@@H](CO)CCSC)C2=O)cc1.

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

The InChIKey is XGLBOTRDEDLQKI-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-26-14-5-3-12(4-6-14)10-21-17(24)15(20-18(21)25)9-16(23)19-13(11-22)7-8-27-2/h3-6,13,15,22H,7-11H2,1-2H3,(H,19,23)(H,20,25)/t13-,15-/m1/s1.

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

N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 0.74, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 124864253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).