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

C25H21N3O2S2 — CID 18900524

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

4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide (PubChem CID 18900524) has the molecular formula C25H21N3O2S2 and a molecular weight of 459.60 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
• PubChem CID: 18900524
• Molecular Formula: C25H21N3O2S2
• Molecular Weight: 459.60 g/mol
• Exact Mass: 459.11
• IUPAC Name: 4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cccc(SCC(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1
• InChI: InChI=1S/C25H21N3O2S2/c1-17-10-12-19(13-11-17)24(30)26-20-8-5-9-21(14-20)31-16-23(29)28-25-27-22(15-32-25)18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,26,30)(H,27,28,29)
• InChIKey: WEZAERSHUZLJMC-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.60
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide (CID 18900524) is 4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide.

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

The canonical SMILES for 4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(SCC(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1.

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

The InChIKey is WEZAERSHUZLJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S2/c1-17-10-12-19(13-11-17)24(30)26-20-8-5-9-21(14-20)31-16-23(29)28-25-27-22(15-32-25)18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,26,30)(H,27,28,29).

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

4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide has a molecular weight of 459.60 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18900524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).