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

C21H18FN3O3S2 — CID 25284491

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

N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 25284491) has the molecular formula C21H18FN3O3S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• PubChem CID: 25284491
• Molecular Formula: C21H18FN3O3S2
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.08
• IUPAC Name: N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• SMILES: CC(=O)Nc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1
• InChI: InChI=1S/C21H18FN3O3S2/c1-13(26)23-16-6-8-17(9-7-16)24-20(28)10-18-11-29-21(25-18)30-12-19(27)14-2-4-15(22)5-3-14/h2-9,11H,10,12H2,1H3,(H,23,26)(H,24,28)
• InChIKey: ZFFSFOVXJDJSIW-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 25284491) is N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1.

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

The InChIKey is ZFFSFOVXJDJSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S2/c1-13(26)23-16-6-8-17(9-7-16)24-20(28)10-18-11-29-21(25-18)30-12-19(27)14-2-4-15(22)5-3-14/h2-9,11H,10,12H2,1H3,(H,23,26)(H,24,28).

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

N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 25284491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).