4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide

C20H27N3O4S — CID 69241237

About 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide

4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide (PubChem CID 69241237) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

• Compound Name: 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide
• PubChem CID: 69241237
• Molecular Formula: C20H27N3O4S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.17
• IUPAC Name: 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide
• SMILES: COc1ccc(C(=O)CCC(=O)NCC2CNC(C(=O)N3CCSC3)C2)cc1
• InChI: InChI=1S/C20H27N3O4S/c1-27-16-4-2-15(3-5-16)18(24)6-7-19(25)22-12-14-10-17(21-11-14)20(26)23-8-9-28-13-23/h2-5,14,17,21H,6-13H2,1H3,(H,22,25)
• InChIKey: YWVLZFJGMJBFPE-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide?

The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide (CID 69241237) is 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide.

What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide?

The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide is COc1ccc(C(=O)CCC(=O)NCC2CNC(C(=O)N3CCSC3)C2)cc1.

What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide?

The InChIKey is YWVLZFJGMJBFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-27-16-4-2-15(3-5-16)18(24)6-7-19(25)22-12-14-10-17(21-11-14)20(26)23-8-9-28-13-23/h2-5,14,17,21H,6-13H2,1H3,(H,22,25).

What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide?

4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide has a molecular weight of 405.52 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxyphenyl)-4-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 69241237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).