2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

C24H27F2N3O4S — CID 41135445

About 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 41135445) has the molecular formula C24H27F2N3O4S and a molecular weight of 491.56 g/mol. Its IUPAC name is 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
• PubChem CID: 41135445
• Molecular Formula: C24H27F2N3O4S
• Molecular Weight: 491.56 g/mol
• Exact Mass: 491.17
• IUPAC Name: 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
• SMILES: CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1ccc(OC(F)F)cc1
• InChI: InChI=1S/C24H27F2N3O4S/c1-4-7-15(2)29-22(31)20(14-21(30)28-18-8-5-6-9-19(18)32-3)34-24(29)27-16-10-12-17(13-11-16)33-23(25)26/h5-6,8-13,15,20,23H,4,7,14H2,1-3H3,(H,28,30)/b27-24-/t15-,20-/m1/s1
• InChIKey: YDKBAKAWDNDQDW-ARGCVMJTSA-N
• XLogP: 5.45
• TPSA: 80.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.56
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?

The IUPAC name of 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 41135445) is 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?

The canonical SMILES for 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1ccc(OC(F)F)cc1.

What is the InChIKey of 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?

The InChIKey is YDKBAKAWDNDQDW-ARGCVMJTSA-N. The full InChI is InChI=1S/C24H27F2N3O4S/c1-4-7-15(2)29-22(31)20(14-21(30)28-18-8-5-6-9-19(18)32-3)34-24(29)27-16-10-12-17(13-11-16)33-23(25)26/h5-6,8-13,15,20,23H,4,7,14H2,1-3H3,(H,28,30)/b27-24-/t15-,20-/m1/s1.

What are the key properties of 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?

2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 491.56 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 41135445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).