(2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide

C23H26F2N2O2S — CID 93127748

About (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide

(2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide (PubChem CID 93127748) has the molecular formula C23H26F2N2O2S and a molecular weight of 432.54 g/mol. Its IUPAC name is (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide.

Molecular Properties

• Compound Name: (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide
• PubChem CID: 93127748
• Molecular Formula: C23H26F2N2O2S
• Molecular Weight: 432.54 g/mol
• Exact Mass: 432.17
• IUPAC Name: (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide
• SMILES: CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)c1
• InChI: InChI=1S/C23H26F2N2O2S/c1-3-5-7-15(4-2)22(29)26-18-9-6-8-16(12-18)23-27(21(28)14-30-23)20-11-10-17(24)13-19(20)25/h6,8-13,15,23H,3-5,7,14H2,1-2H3,(H,26,29)/t15-,23+/m1/s1
• InChIKey: PNFAOMCQEWGNPS-CMJOXMDJSA-N
• XLogP: 5.90
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.54
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide (CID 93127748) is (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide.

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

The canonical SMILES for (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide is CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)c1.

What is the InChIKey of (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide?

The InChIKey is PNFAOMCQEWGNPS-CMJOXMDJSA-N. The full InChI is InChI=1S/C23H26F2N2O2S/c1-3-5-7-15(4-2)22(29)26-18-9-6-8-16(12-18)23-27(21(28)14-30-23)20-11-10-17(24)13-19(20)25/h6,8-13,15,23H,3-5,7,14H2,1-2H3,(H,26,29)/t15-,23+/m1/s1.

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

(2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide has a molecular weight of 432.54 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-ethylhexanamide is sourced from PubChem (CID 93127748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).