N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

C26H23N3O3S2 — CID 18900240

About N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (PubChem CID 18900240) has the molecular formula C26H23N3O3S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
• PubChem CID: 18900240
• Molecular Formula: C26H23N3O3S2
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.12
• IUPAC Name: N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
• SMILES: COc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)Cc4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C26H23N3O3S2/c1-32-21-12-10-19(11-13-21)23-16-34-26(28-23)29-25(31)17-33-22-9-5-8-20(15-22)27-24(30)14-18-6-3-2-4-7-18/h2-13,15-16H,14,17H2,1H3,(H,27,30)(H,28,29,31)
• InChIKey: GCDPREQZUXIVHN-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (CID 18900240) is N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.

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

The canonical SMILES for N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is COc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)Cc4ccccc4)c3)n2)cc1.

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

The InChIKey is GCDPREQZUXIVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S2/c1-32-21-12-10-19(11-13-21)23-16-34-26(28-23)29-25(31)17-33-22-9-5-8-20(15-22)27-24(30)14-18-6-3-2-4-7-18/h2-13,15-16H,14,17H2,1H3,(H,27,30)(H,28,29,31).

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

N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide has a molecular weight of 489.62 g/mol, XLogP of 5.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 18900240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).