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

C23H19N3O3S3 — CID 18899663

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

4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide (PubChem CID 18899663) has the molecular formula C23H19N3O3S3 and a molecular weight of 481.62 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
• PubChem CID: 18899663
• Molecular Formula: C23H19N3O3S3
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.06
• IUPAC Name: 4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2cccc(SCC(=O)Nc3nc(-c4cccs4)cs3)c2)cc1
• InChI: InChI=1S/C23H19N3O3S3/c1-29-17-9-7-15(8-10-17)22(28)24-16-4-2-5-18(12-16)31-14-21(27)26-23-25-19(13-32-23)20-6-3-11-30-20/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27)
• InChIKey: KRFSTGCOLQWEGZ-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide (CID 18899663) is 4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide.

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

The canonical SMILES for 4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide is COc1ccc(C(=O)Nc2cccc(SCC(=O)Nc3nc(-c4cccs4)cs3)c2)cc1.

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

The InChIKey is KRFSTGCOLQWEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S3/c1-29-17-9-7-15(8-10-17)22(28)24-16-4-2-5-18(12-16)31-14-21(27)26-23-25-19(13-32-23)20-6-3-11-30-20/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27).

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

4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18899663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).