N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

C24H19ClN2O3S2 — CID 2390842

About N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide (PubChem CID 2390842) has the molecular formula C24H19ClN2O3S2 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 2390842
• Molecular Formula: C24H19ClN2O3S2
• Molecular Weight: 483.01 g/mol
• Exact Mass: 482.05
• IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
• SMILES: CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)sc2c1
• InChI: InChI=1S/C24H19ClN2O3S2/c1-2-30-17-9-11-20-21(13-17)32-24(27-20)31-14-22(28)26-19-10-8-16(25)12-18(19)23(29)15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,26,28)
• InChIKey: VNUCYLJIVGTEKL-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.01
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide (CID 2390842) is N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide is CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)sc2c1.

What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide?

The InChIKey is VNUCYLJIVGTEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3S2/c1-2-30-17-9-11-20-21(13-17)32-24(27-20)31-14-22(28)26-19-10-8-16(25)12-18(19)23(29)15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,26,28).

What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide?

N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide has a molecular weight of 483.01 g/mol, XLogP of 6.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2390842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).