N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide

C23H20ClN3O4S — CID 43966712

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43966712) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 43966712
• Molecular Formula: C23H20ClN3O4S
• Molecular Weight: 469.95 g/mol
• Exact Mass: 469.09
• IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: COc1ccc(OCC(=O)N(Cc2cccnc2)c2nc3c(OC)ccc(Cl)c3s2)cc1
• InChI: InChI=1S/C23H20ClN3O4S/c1-29-16-5-7-17(8-6-16)31-14-20(28)27(13-15-4-3-11-25-12-15)23-26-21-19(30-2)10-9-18(24)22(21)32-23/h3-12H,13-14H2,1-2H3
• InChIKey: RJAYOIUOJGZDHA-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 73.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.95
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide (CID 43966712) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(OCC(=O)N(Cc2cccnc2)c2nc3c(OC)ccc(Cl)c3s2)cc1.

What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is RJAYOIUOJGZDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-29-16-5-7-17(8-6-16)31-14-20(28)27(13-15-4-3-11-25-12-15)23-26-21-19(30-2)10-9-18(24)22(21)32-23/h3-12H,13-14H2,1-2H3.

What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide?

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 469.95 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43966712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).