N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide

C19H18N2O5S — CID 43978543

About N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide (PubChem CID 43978543) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide
• PubChem CID: 43978543
• Molecular Formula: C19H18N2O5S
• Molecular Weight: 386.43 g/mol
• Exact Mass: 386.09
• IUPAC Name: N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide
• SMILES: CCn1/c(=N/C(=O)COc2ccc(OC)cc2)sc2cc3c(cc21)OCO3
• InChI: InChI=1S/C19H18N2O5S/c1-3-21-14-8-15-16(26-11-25-15)9-17(14)27-19(21)20-18(22)10-24-13-6-4-12(23-2)5-7-13/h4-9H,3,10-11H2,1-2H3/b20-19-
• InChIKey: SSLWFSVAAMNQFF-VXPUYCOJSA-N
• XLogP: 2.97
• TPSA: 71.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.43
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide?

The IUPAC name of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide (CID 43978543) is N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide.

What is the SMILES notation for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide?

The canonical SMILES for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide is CCn1/c(=N/C(=O)COc2ccc(OC)cc2)sc2cc3c(cc21)OCO3.

What is the InChIKey of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide?

The InChIKey is SSLWFSVAAMNQFF-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-3-21-14-8-15-16(26-11-25-15)9-17(14)27-19(21)20-18(22)10-24-13-6-4-12(23-2)5-7-13/h4-9H,3,10-11H2,1-2H3/b20-19-.

What are the key properties of N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide?

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 386.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 43978543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).