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

C28H24N2O3S — CID 93126259

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

N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 93126259) has the molecular formula C28H24N2O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
• PubChem CID: 93126259
• Molecular Formula: C28H24N2O3S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.15
• IUPAC Name: N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
• SMILES: CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C28H24N2O3S/c1-2-33-25-13-6-5-12-24(25)30-26(31)18-34-28(30)20-14-16-21(17-15-20)29-27(32)23-11-7-9-19-8-3-4-10-22(19)23/h3-17,28H,2,18H2,1H3,(H,29,32)/t28-/m0/s1
• InChIKey: JETQJSDAZFNADZ-NDEPHWFRSA-N
• XLogP: 6.27
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide (CID 93126259) is N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide.

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

The canonical SMILES for N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccc3ccccc23)cc1.

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

The InChIKey is JETQJSDAZFNADZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H24N2O3S/c1-2-33-25-13-6-5-12-24(25)30-26(31)18-34-28(30)20-14-16-21(17-15-20)29-27(32)23-11-7-9-19-8-3-4-10-22(19)23/h3-17,28H,2,18H2,1H3,(H,29,32)/t28-/m0/s1.

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

N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 93126259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).