(3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide

C25H29F3N2O2S — CID 93126918

About (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide

(3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide (PubChem CID 93126918) has the molecular formula C25H29F3N2O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide.

Molecular Properties

• Compound Name: (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide
• PubChem CID: 93126918
• Molecular Formula: C25H29F3N2O2S
• Molecular Weight: 478.58 g/mol
• Exact Mass: 478.19
• IUPAC Name: (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide
• SMILES: C[C@H](CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)CC(C)(C)C
• InChI: InChI=1S/C25H29F3N2O2S/c1-16(14-24(2,3)4)13-21(31)29-19-9-5-17(6-10-19)23-30(22(32)15-33-23)20-11-7-18(8-12-20)25(26,27)28/h5-12,16,23H,13-15H2,1-4H3,(H,29,31)/t16-,23-/m1/s1
• InChIKey: QYHVODFIANUCOS-WAIKUNEKSA-N
• XLogP: 6.88
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.58
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide?

The IUPAC name of (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide (CID 93126918) is (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide.

What is the SMILES notation for (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide?

The canonical SMILES for (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide is C[C@H](CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)CC(C)(C)C.

What is the InChIKey of (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide?

The InChIKey is QYHVODFIANUCOS-WAIKUNEKSA-N. The full InChI is InChI=1S/C25H29F3N2O2S/c1-16(14-24(2,3)4)13-21(31)29-19-9-5-17(6-10-19)23-30(22(32)15-33-23)20-11-7-18(8-12-20)25(26,27)28/h5-12,16,23H,13-15H2,1-4H3,(H,29,31)/t16-,23-/m1/s1.

What are the key properties of (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide?

(3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide has a molecular weight of 478.58 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide is sourced from PubChem (CID 93126918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).