2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide

C25H20ClN3O2S2 — CID 18899372

About 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide

2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide (PubChem CID 18899372) has the molecular formula C25H20ClN3O2S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide
• PubChem CID: 18899372
• Molecular Formula: C25H20ClN3O2S2
• Molecular Weight: 494.04 g/mol
• Exact Mass: 493.07
• IUPAC Name: 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide
• SMILES: O=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2nc(-c3ccccc3)cs2)c1
• InChI: InChI=1S/C25H20ClN3O2S2/c26-19-11-9-17(10-12-19)13-23(30)27-20-7-4-8-21(14-20)32-16-24(31)29-25-28-22(15-33-25)18-5-2-1-3-6-18/h1-12,14-15H,13,16H2,(H,27,30)(H,28,29,31)
• InChIKey: XKFYYBFQWZQPPR-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.04
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide (CID 18899372) is 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(SCC(=O)Nc2nc(-c3ccccc3)cs2)c1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide?

The InChIKey is XKFYYBFQWZQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2S2/c26-19-11-9-17(10-12-19)13-23(30)27-20-7-4-8-21(14-20)32-16-24(31)29-25-28-22(15-33-25)18-5-2-1-3-6-18/h1-12,14-15H,13,16H2,(H,27,30)(H,28,29,31).

What are the key properties of 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide?

2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide has a molecular weight of 494.04 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 18899372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).