2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C23H25N5O4S — CID 92786992

About 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 92786992) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 92786992
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.16
• IUPAC Name: 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O
• InChI: InChI=1S/C23H25N5O4S/c1-3-12-27(14-18-25-26-20(32-18)17-11-8-13-33-17)19(29)15-28-21(30)23(4-2,24-22(28)31)16-9-6-5-7-10-16/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,24,31)/t23-/m0/s1
• InChIKey: BBDVFUOXCMHTFU-QHCPKHFHSA-N
• XLogP: 3.39
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 92786992) is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O.

What is the InChIKey of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The InChIKey is BBDVFUOXCMHTFU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-3-12-27(14-18-25-26-20(32-18)17-11-8-13-33-17)19(29)15-28-21(30)23(4-2,24-22(28)31)16-9-6-5-7-10-16/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,24,31)/t23-/m0/s1.

What are the key properties of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 92786992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).