N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide

C23H34N4O4S — CID 26278516

About N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide

N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide (PubChem CID 26278516) has the molecular formula C23H34N4O4S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
• PubChem CID: 26278516
• Molecular Formula: C23H34N4O4S
• Molecular Weight: 462.62 g/mol
• Exact Mass: 462.23
• IUPAC Name: N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
• SMILES: CCC[C@@]1(C2CCN(Cc3ccc(NC(C)=O)s3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O
• InChI: InChI=1S/C23H34N4O4S/c1-3-10-23(21(29)27(22(30)25-23)14-18-5-4-13-31-18)17-8-11-26(12-9-17)15-19-6-7-20(32-19)24-16(2)28/h6-7,17-18H,3-5,8-15H2,1-2H3,(H,24,28)(H,25,30)/t18-,23-/m0/s1
• InChIKey: OFSMNUWDCHZPEU-MBSDFSHPSA-N
• XLogP: 3.19
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.62
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
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-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?

The IUPAC name of N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide (CID 26278516) is N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide.

What is the SMILES notation for N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?

The canonical SMILES for N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide is CCC[C@@]1(C2CCN(Cc3ccc(NC(C)=O)s3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O.

What is the InChIKey of N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?

The InChIKey is OFSMNUWDCHZPEU-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H34N4O4S/c1-3-10-23(21(29)27(22(30)25-23)14-18-5-4-13-31-18)17-8-11-26(12-9-17)15-19-6-7-20(32-19)24-16(2)28/h6-7,17-18H,3-5,8-15H2,1-2H3,(H,24,28)(H,25,30)/t18-,23-/m0/s1.

What are the key properties of N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?

N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide has a molecular weight of 462.62 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 26278516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).