N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C20H29N3O5S — CID 110210527

About N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 110210527) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
• PubChem CID: 110210527
• Molecular Formula: C20H29N3O5S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.18
• IUPAC Name: N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
• SMILES: COc1ccc(CCN2C(=O)NC(CCC(=O)NC(CO)CCSC)C2=O)cc1
• InChI: InChI=1S/C20H29N3O5S/c1-28-16-5-3-14(4-6-16)9-11-23-19(26)17(22-20(23)27)7-8-18(25)21-15(13-24)10-12-29-2/h3-6,15,17,24H,7-13H2,1-2H3,(H,21,25)(H,22,27)
• InChIKey: KJCZXMKQUBUPEV-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	1.17
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-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

The IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 110210527) is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

What is the SMILES notation for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

The canonical SMILES for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(CCN2C(=O)NC(CCC(=O)NC(CO)CCSC)C2=O)cc1.

What is the InChIKey of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

The InChIKey is KJCZXMKQUBUPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-28-16-5-3-14(4-6-16)9-11-23-19(26)17(22-20(23)27)7-8-18(25)21-15(13-24)10-12-29-2/h3-6,15,17,24H,7-13H2,1-2H3,(H,21,25)(H,22,27).

What are the key properties of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 423.54 g/mol, XLogP of 1.17, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 110210527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).