2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C23H18Cl2N2O2S — CID 93125330

About 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125330) has the molecular formula C23H18Cl2N2O2S and a molecular weight of 457.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93125330
• Molecular Formula: C23H18Cl2N2O2S
• Molecular Weight: 457.38 g/mol
• Exact Mass: 456.05
• IUPAC Name: 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1
• InChI: InChI=1S/C23H18Cl2N2O2S/c1-14-5-8-18(9-6-14)27-21(28)13-30-23(27)15-3-2-4-17(11-15)26-22(29)19-10-7-16(24)12-20(19)25/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m1/s1
• InChIKey: JOUVZLOEMMTONJ-HSZRJFAPSA-N
• XLogP: 6.33
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.38
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125330) is 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1.

What is the InChIKey of 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The InChIKey is JOUVZLOEMMTONJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2S/c1-14-5-8-18(9-6-14)27-21(28)13-30-23(27)15-3-2-4-17(11-15)26-22(29)19-10-7-16(24)12-20(19)25/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m1/s1.

What are the key properties of 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 457.38 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).