2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C23H24N4O5S2 — CID 68684485

About 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 68684485) has the molecular formula C23H24N4O5S2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 68684485
• Molecular Formula: C23H24N4O5S2
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.12
• IUPAC Name: 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
• SMILES: COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(-c4cccs4)s3)C2)cc1OC1CCCO1
• InChI: InChI=1S/C23H24N4O5S2/c1-30-16-7-6-14(10-17(16)32-21-5-2-8-31-21)15-11-20(29)27(12-15)13-19(28)24-23-26-25-22(34-23)18-4-3-9-33-18/h3-4,6-7,9-10,15,21H,2,5,8,11-13H2,1H3,(H,24,26,28)/t15-,21?/m1/s1
• InChIKey: OUUSOWMFVXPRNQ-RBFZIWAESA-N
• XLogP: 3.75
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The IUPAC name of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 68684485) is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The canonical SMILES for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(-c4cccs4)s3)C2)cc1OC1CCCO1.

What is the InChIKey of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The InChIKey is OUUSOWMFVXPRNQ-RBFZIWAESA-N. The full InChI is InChI=1S/C23H24N4O5S2/c1-30-16-7-6-14(10-17(16)32-21-5-2-8-31-21)15-11-20(29)27(12-15)13-19(28)24-23-26-25-22(34-23)18-4-3-9-33-18/h3-4,6-7,9-10,15,21H,2,5,8,11-13H2,1H3,(H,24,26,28)/t15-,21?/m1/s1.

What are the key properties of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 500.60 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 68684485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).