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

C23H18Cl2N2O3S — CID 93126401

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

2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93126401) has the molecular formula C23H18Cl2N2O3S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93126401
• Molecular Formula: C23H18Cl2N2O3S
• Molecular Weight: 473.38 g/mol
• Exact Mass: 472.04
• IUPAC Name: 2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C23H18Cl2N2O3S/c1-30-20-9-5-4-8-19(20)27-21(28)13-31-23(27)16-6-2-3-7-18(16)26-22(29)15-11-10-14(24)12-17(15)25/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m0/s1
• InChIKey: SMNUDHNDQCJHHW-QHCPKHFHSA-N
• XLogP: 6.03
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.38
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93126401) is 2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccc(Cl)cc1Cl.

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

The InChIKey is SMNUDHNDQCJHHW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3S/c1-30-20-9-5-4-8-19(20)27-21(28)13-31-23(27)16-6-2-3-7-18(16)26-22(29)15-11-10-14(24)12-17(15)25/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m0/s1.

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

2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 473.38 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93126401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).