3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide

C26H23N3O2S2 — CID 18900459

About 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide

3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18900459) has the molecular formula C26H23N3O2S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
• PubChem CID: 18900459
• Molecular Formula: C26H23N3O2S2
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.12
• IUPAC Name: 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
• SMILES: Cc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)c4cccc(C)c4)c3)n2)cc1
• InChI: InChI=1S/C26H23N3O2S2/c1-17-9-11-19(12-10-17)23-15-33-26(28-23)29-24(30)16-32-22-8-4-7-21(14-22)27-25(31)20-6-3-5-18(2)13-20/h3-15H,16H2,1-2H3,(H,27,31)(H,28,29,30)
• InChIKey: ZSCCHUPQWHQACY-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide (CID 18900459) is 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide.

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

The canonical SMILES for 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide is Cc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)c4cccc(C)c4)c3)n2)cc1.

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

The InChIKey is ZSCCHUPQWHQACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S2/c1-17-9-11-19(12-10-17)23-15-33-26(28-23)29-24(30)16-32-22-8-4-7-21(14-22)27-25(31)20-6-3-5-18(2)13-20/h3-15H,16H2,1-2H3,(H,27,31)(H,28,29,30).

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

3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18900459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).