N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide

C26H24Cl2N2O2S — CID 42807473

About N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide

N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide (PubChem CID 42807473) has the molecular formula C26H24Cl2N2O2S and a molecular weight of 499.46 g/mol. Its IUPAC name is N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide.

Molecular Properties

• Compound Name: N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
• PubChem CID: 42807473
• Molecular Formula: C26H24Cl2N2O2S
• Molecular Weight: 499.46 g/mol
• Exact Mass: 498.09
• IUPAC Name: N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
• SMILES: CC(C)(C)c1ccc(N2C(=O)CSC2c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
• InChI: InChI=1S/C26H24Cl2N2O2S/c1-26(2,3)18-7-11-20(12-8-18)30-23(31)15-33-25(30)16-4-9-19(10-5-16)29-24(32)17-6-13-21(27)22(28)14-17/h4-14,25H,15H2,1-3H3,(H,29,32)
• InChIKey: WAIWAHJRCHBLBR-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.46
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide?

The IUPAC name of N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide (CID 42807473) is N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide.

What is the SMILES notation for N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide?

The canonical SMILES for N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide is CC(C)(C)c1ccc(N2C(=O)CSC2c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1.

What is the InChIKey of N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide?

The InChIKey is WAIWAHJRCHBLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2S/c1-26(2,3)18-7-11-20(12-8-18)30-23(31)15-33-25(30)16-4-9-19(10-5-16)29-24(32)17-6-13-21(27)22(28)14-17/h4-14,25H,15H2,1-3H3,(H,29,32).

What are the key properties of N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide?

N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide has a molecular weight of 499.46 g/mol, XLogP of 7.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 42807473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).