propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate

C26H34N2O5S — CID 68943542

About propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate

propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate (PubChem CID 68943542) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate
• PubChem CID: 68943542
• Molecular Formula: C26H34N2O5S
• Molecular Weight: 486.63 g/mol
• Exact Mass: 486.22
• IUPAC Name: propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate
• SMILES: CCCCC[C@H](O)c1ccc(N2C(=O)NC(=O)[C@H]2CCCc2ccc(C(=O)OC(C)C)s2)cc1
• InChI: InChI=1S/C26H34N2O5S/c1-4-5-6-10-22(29)18-11-13-19(14-12-18)28-21(24(30)27-26(28)32)9-7-8-20-15-16-23(34-20)25(31)33-17(2)3/h11-17,21-22,29H,4-10H2,1-3H3,(H,27,30,32)/t21-,22+/m1/s1
• InChIKey: WYWNQAGBBPVQMT-YADHBBJMSA-N
• XLogP: 5.37
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.63
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate?

The IUPAC name of propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate (CID 68943542) is propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate.

What is the SMILES notation for propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate?

The canonical SMILES for propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate is CCCCC[C@H](O)c1ccc(N2C(=O)NC(=O)[C@H]2CCCc2ccc(C(=O)OC(C)C)s2)cc1.

What is the InChIKey of propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate?

The InChIKey is WYWNQAGBBPVQMT-YADHBBJMSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-4-5-6-10-22(29)18-11-13-19(14-12-18)28-21(24(30)27-26(28)32)9-7-8-20-15-16-23(34-20)25(31)33-17(2)3/h11-17,21-22,29H,4-10H2,1-3H3,(H,27,30,32)/t21-,22+/m1/s1.

What are the key properties of propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate?

propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate has a molecular weight of 486.63 g/mol, XLogP of 5.37, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 5-[3-[(4R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate is sourced from PubChem (CID 68943542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).