4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C25H24N2O3S — CID 28636866

About 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 28636866) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• PubChem CID: 28636866
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• SMILES: O=C(N[C@H]1CCCc2ccccc21)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C25H24N2O3S/c28-23-16-31-25(27(23)15-20-7-4-14-30-20)19-12-10-18(11-13-19)24(29)26-22-9-3-6-17-5-1-2-8-21(17)22/h1-2,4-5,7-8,10-14,22,25H,3,6,9,15-16H2,(H,26,29)/t22-,25-/m0/s1
• InChIKey: BPFZFOSSQNJBCH-DHLKQENFSA-N
• XLogP: 4.86
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The IUPAC name of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 28636866) is 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

What is the SMILES notation for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The canonical SMILES for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@H]1CCCc2ccccc21)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1.

What is the InChIKey of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The InChIKey is BPFZFOSSQNJBCH-DHLKQENFSA-N. The full InChI is InChI=1S/C25H24N2O3S/c28-23-16-31-25(27(23)15-20-7-4-14-30-20)19-12-10-18(11-13-19)24(29)26-22-9-3-6-17-5-1-2-8-21(17)22/h1-2,4-5,7-8,10-14,22,25H,3,6,9,15-16H2,(H,26,29)/t22-,25-/m0/s1.

What are the key properties of 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 432.55 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 28636866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).