N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C22H24ClN3O4S — CID 43997222

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 43997222) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 43997222
• Molecular Formula: C22H24ClN3O4S
• Molecular Weight: 461.97 g/mol
• Exact Mass: 461.12
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: COc1cccc(OCC(=O)N(CCN2CCOCC2)c2nc3ccc(Cl)cc3s2)c1
• InChI: InChI=1S/C22H24ClN3O4S/c1-28-17-3-2-4-18(14-17)30-15-21(27)26(8-7-25-9-11-29-12-10-25)22-24-19-6-5-16(23)13-20(19)31-22/h2-6,13-14H,7-12,15H2,1H3
• InChIKey: GZMWIRVNWSPKQA-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.97
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 43997222) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is COc1cccc(OCC(=O)N(CCN2CCOCC2)c2nc3ccc(Cl)cc3s2)c1.

What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is GZMWIRVNWSPKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-28-17-3-2-4-18(14-17)30-15-21(27)26(8-7-25-9-11-29-12-10-25)22-24-19-6-5-16(23)13-20(19)31-22/h2-6,13-14H,7-12,15H2,1H3.

What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 461.97 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 43997222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).