2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide

C23H24N4O3S2 — CID 16898720

About 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide

2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide (PubChem CID 16898720) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
• PubChem CID: 16898720
• Molecular Formula: C23H24N4O3S2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.13
• IUPAC Name: 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
• SMILES: CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cs2)cc1
• InChI: InChI=1S/C23H24N4O3S2/c1-16(28)25-18-7-9-19(10-8-18)26-22(30)15-32-23-27-20(14-31-23)13-21(29)24-12-11-17-5-3-2-4-6-17/h2-10,14H,11-13,15H2,1H3,(H,24,29)(H,25,28)(H,26,30)
• InChIKey: WWYAGUPEYYDIJN-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide (CID 16898720) is 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cs2)cc1.

What is the InChIKey of 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?

The InChIKey is WWYAGUPEYYDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c1-16(28)25-18-7-9-19(10-8-18)26-22(30)15-32-23-27-20(14-31-23)13-21(29)24-12-11-17-5-3-2-4-6-17/h2-10,14H,11-13,15H2,1H3,(H,24,29)(H,25,28)(H,26,30).

What are the key properties of 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?

2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 468.60 g/mol, XLogP of 3.73, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16898720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).