N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide

C19H24ClN3O5S2 — CID 4606162

About N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide (PubChem CID 4606162) has the molecular formula C19H24ClN3O5S2 and a molecular weight of 474.00 g/mol. Its IUPAC name is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide.

Molecular Properties

• Compound Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide
• PubChem CID: 4606162
• Molecular Formula: C19H24ClN3O5S2
• Molecular Weight: 474.00 g/mol
• Exact Mass: 473.08
• IUPAC Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide
• SMILES: COCCn1/c(=N/C(=O)CS(=O)(=O)CC(=O)N2CCCCC2)sc2cc(Cl)ccc21
• InChI: InChI=1S/C19H24ClN3O5S2/c1-28-10-9-23-15-6-5-14(20)11-16(15)29-19(23)21-17(24)12-30(26,27)13-18(25)22-7-3-2-4-8-22/h5-6,11H,2-4,7-10,12-13H2,1H3/b21-19-
• InChIKey: FPFHBDAFNRFIIO-VZCXRCSSSA-N
• XLogP: 1.86
• TPSA: 98.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.00
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide?

The IUPAC name of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide (CID 4606162) is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide.

What is the SMILES notation for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide?

The canonical SMILES for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide is COCCn1/c(=N/C(=O)CS(=O)(=O)CC(=O)N2CCCCC2)sc2cc(Cl)ccc21.

What is the InChIKey of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide?

The InChIKey is FPFHBDAFNRFIIO-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H24ClN3O5S2/c1-28-10-9-23-15-6-5-14(20)11-16(15)29-19(23)21-17(24)12-30(26,27)13-18(25)22-7-3-2-4-8-22/h5-6,11H,2-4,7-10,12-13H2,1H3/b21-19-.

What are the key properties of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide?

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide has a molecular weight of 474.00 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide is sourced from PubChem (CID 4606162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).