4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

C29H32N2O2S — CID 93005242

About 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93005242) has the molecular formula C29H32N2O2S and a molecular weight of 472.65 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93005242
• Molecular Formula: C29H32N2O2S
• Molecular Weight: 472.65 g/mol
• Exact Mass: 472.22
• IUPAC Name: 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C29H32N2O2S/c1-5-8-20-9-6-7-10-25(20)31-26(32)19-34-28(31)22-13-17-24(18-14-22)30-27(33)21-11-15-23(16-12-21)29(2,3)4/h6-7,9-18,28H,5,8,19H2,1-4H3,(H,30,33)/t28-/m1/s1
• InChIKey: IGMHHVPXMQWIHA-MUUNZHRXSA-N
• XLogP: 6.97
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.65
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93005242) is 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1.

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

The InChIKey is IGMHHVPXMQWIHA-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H32N2O2S/c1-5-8-20-9-6-7-10-25(20)31-26(32)19-34-28(31)22-13-17-24(18-14-22)30-27(33)21-11-15-23(16-12-21)29(2,3)4/h6-7,9-18,28H,5,8,19H2,1-4H3,(H,30,33)/t28-/m1/s1.

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

4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 472.65 g/mol, XLogP of 6.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93005242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).