N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide

C28H24N2O2S — CID 42806144

About N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide

N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 42806144) has the molecular formula C28H24N2O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide
• PubChem CID: 42806144
• Molecular Formula: C28H24N2O2S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.16
• IUPAC Name: N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide
• SMILES: CCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C28H24N2O2S/c1-2-19-8-5-6-13-25(19)30-26(31)18-33-28(30)23-11-7-12-24(17-23)29-27(32)22-15-14-20-9-3-4-10-21(20)16-22/h3-17,28H,2,18H2,1H3,(H,29,32)
• InChIKey: WJVYFEAOYUVGPT-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide?

The IUPAC name of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide (CID 42806144) is N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide is CCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2ccc3ccccc3c2)c1.

What is the InChIKey of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide?

The InChIKey is WJVYFEAOYUVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2S/c1-2-19-8-5-6-13-25(19)30-26(31)18-33-28(30)23-11-7-12-24(17-23)29-27(32)22-15-14-20-9-3-4-10-21(20)16-22/h3-17,28H,2,18H2,1H3,(H,29,32).

What are the key properties of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide?

N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42806144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).