3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide

C20H25N3O6S — CID 84565810

About 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide (PubChem CID 84565810) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
• PubChem CID: 84565810
• Molecular Formula: C20H25N3O6S
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.15
• IUPAC Name: 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
• SMILES: COc1ccccc1OCC(=O)N(CCC(=O)NCCN1C(=O)CSC1=O)C1CC1
• InChI: InChI=1S/C20H25N3O6S/c1-28-15-4-2-3-5-16(15)29-12-18(25)22(14-6-7-14)10-8-17(24)21-9-11-23-19(26)13-30-20(23)27/h2-5,14H,6-13H2,1H3,(H,21,24)
• InChIKey: MOFZDGQADRMBCV-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide?

The IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide (CID 84565810) is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide.

What is the SMILES notation for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide?

The canonical SMILES for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide is COc1ccccc1OCC(=O)N(CCC(=O)NCCN1C(=O)CSC1=O)C1CC1.

What is the InChIKey of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide?

The InChIKey is MOFZDGQADRMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-28-15-4-2-3-5-16(15)29-12-18(25)22(14-6-7-14)10-8-17(24)21-9-11-23-19(26)13-30-20(23)27/h2-5,14H,6-13H2,1H3,(H,21,24).

What are the key properties of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide?

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide has a molecular weight of 435.50 g/mol, XLogP of 1.27, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 84565810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).