3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

C23H20N2O3S — CID 24505889

About 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 24505889) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 24505889
• Molecular Formula: C23H20N2O3S
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.12
• IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: CC(=O)c1cc(CCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)oc1C
• InChI: InChI=1S/C23H20N2O3S/c1-14(26)20-12-19(28-15(20)2)9-10-22(27)25-23-24-21(13-29-23)18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13H,9-10H2,1-2H3,(H,24,25,27)
• InChIKey: NMGPFWQKMMKZQP-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (CID 24505889) is 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is CC(=O)c1cc(CCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)oc1C.

What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The InChIKey is NMGPFWQKMMKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-14(26)20-12-19(28-15(20)2)9-10-22(27)25-23-24-21(13-29-23)18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13H,9-10H2,1-2H3,(H,24,25,27).

What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 404.49 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24505889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).