N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide

C27H28N2O2S — CID 93125038

About N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide

N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide (PubChem CID 93125038) has the molecular formula C27H28N2O2S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide
• PubChem CID: 93125038
• Molecular Formula: C27H28N2O2S
• Molecular Weight: 444.60 g/mol
• Exact Mass: 444.19
• IUPAC Name: N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide
• SMILES: CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1
• InChI: InChI=1S/C27H28N2O2S/c1-19(2)21-12-14-24(15-13-21)29-26(31)18-32-27(29)22-9-6-10-23(17-22)28-25(30)16-11-20-7-4-3-5-8-20/h3-10,12-15,17,19,27H,11,16,18H2,1-2H3,(H,28,30)/t27-/m1/s1
• InChIKey: ABWRWXJNPYEHEI-HHHXNRCGSA-N
• XLogP: 6.16
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.60
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide?

The IUPAC name of N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide (CID 93125038) is N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide.

What is the SMILES notation for N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide?

The canonical SMILES for N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide is CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CCc3ccccc3)c2)cc1.

What is the InChIKey of N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide?

The InChIKey is ABWRWXJNPYEHEI-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N2O2S/c1-19(2)21-12-14-24(15-13-21)29-26(31)18-32-27(29)22-9-6-10-23(17-22)28-25(30)16-11-20-7-4-3-5-8-20/h3-10,12-15,17,19,27H,11,16,18H2,1-2H3,(H,28,30)/t27-/m1/s1.

What are the key properties of N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide?

N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide has a molecular weight of 444.60 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 93125038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).