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

C26H22ClN3O3S2 — CID 18899377

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

2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 18899377) has the molecular formula C26H22ClN3O3S2 and a molecular weight of 524.07 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide
• PubChem CID: 18899377
• Molecular Formula: C26H22ClN3O3S2
• Molecular Weight: 524.07 g/mol
• Exact Mass: 523.08
• IUPAC Name: 2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide
• SMILES: COc1cccc(-c2csc(NC(=O)CSc3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)n2)c1
• InChI: InChI=1S/C26H22ClN3O3S2/c1-33-21-6-2-4-18(13-21)23-15-35-26(29-23)30-25(32)16-34-22-7-3-5-20(14-22)28-24(31)12-17-8-10-19(27)11-9-17/h2-11,13-15H,12,16H2,1H3,(H,28,31)(H,29,30,32)
• InChIKey: ZWHQMDDYQIZDGT-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.07
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide (CID 18899377) is 2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide is COc1cccc(-c2csc(NC(=O)CSc3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)n2)c1.

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

The InChIKey is ZWHQMDDYQIZDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3S2/c1-33-21-6-2-4-18(13-21)23-15-35-26(29-23)30-25(32)16-34-22-7-3-5-20(14-22)28-24(31)12-17-8-10-19(27)11-9-17/h2-11,13-15H,12,16H2,1H3,(H,28,31)(H,29,30,32).

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

2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 524.07 g/mol, XLogP of 6.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 18899377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).