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

C20H18ClN3O2S2 — CID 18912663

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

2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 18912663) has the molecular formula C20H18ClN3O2S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide
• PubChem CID: 18912663
• Molecular Formula: C20H18ClN3O2S2
• Molecular Weight: 431.97 g/mol
• Exact Mass: 431.05
• IUPAC Name: 2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide
• SMILES: Cc1csc(NC(=O)CSc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1
• InChI: InChI=1S/C20H18ClN3O2S2/c1-13-11-28-20(22-13)24-19(26)12-27-17-4-2-3-16(10-17)23-18(25)9-14-5-7-15(21)8-6-14/h2-8,10-11H,9,12H2,1H3,(H,23,25)(H,22,24,26)
• InChIKey: FWRKTMKGNHTVQA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.97
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide (CID 18912663) is 2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide is Cc1csc(NC(=O)CSc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.

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

The InChIKey is FWRKTMKGNHTVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S2/c1-13-11-28-20(22-13)24-19(26)12-27-17-4-2-3-16(10-17)23-18(25)9-14-5-7-15(21)8-6-14/h2-8,10-11H,9,12H2,1H3,(H,23,25)(H,22,24,26).

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

2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 431.97 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 18912663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).