2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

C25H23FN2O2S — CID 93127255

About 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127255) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127255
• Molecular Formula: C25H23FN2O2S
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.15
• IUPAC Name: 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2F)c1
• InChI: InChI=1S/C25H23FN2O2S/c1-2-8-17-9-3-6-14-22(17)28-23(29)16-31-25(28)18-10-7-11-19(15-18)27-24(30)20-12-4-5-13-21(20)26/h3-7,9-15,25H,2,8,16H2,1H3,(H,27,30)/t25-/m0/s1
• InChIKey: LHTOQAXMSJXRTP-VWLOTQADSA-N
• XLogP: 5.81
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127255) is 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2F)c1.

What is the InChIKey of 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The InChIKey is LHTOQAXMSJXRTP-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c1-2-8-17-9-3-6-14-22(17)28-23(29)16-31-25(28)18-10-7-11-19(15-18)27-24(30)20-12-4-5-13-21(20)26/h3-7,9-15,25H,2,8,16H2,1H3,(H,27,30)/t25-/m0/s1.

What are the key properties of 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[(2S)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).