N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide

C24H20N2O3S — CID 42388165

About N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide

N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide (PubChem CID 42388165) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide
• PubChem CID: 42388165
• Molecular Formula: C24H20N2O3S
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.12
• IUPAC Name: N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide
• SMILES: Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C24H20N2O3S/c1-26-18-14-19-20(29-13-12-28-19)15-21(18)30-24(26)25-23(27)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,22H,12-13H2,1H3/b25-24-
• InChIKey: ZSBHPIXKPBPJAR-IZHYLOQSSA-N
• XLogP: 4.27
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide?

The IUPAC name of N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide (CID 42388165) is N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide.

What is the SMILES notation for N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide?

The canonical SMILES for N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide is Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc3c(cc21)OCCO3.

What is the InChIKey of N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide?

The InChIKey is ZSBHPIXKPBPJAR-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-26-18-14-19-20(29-13-12-28-19)15-21(18)30-24(26)25-23(27)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,22H,12-13H2,1H3/b25-24-.

What are the key properties of N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide?

N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide has a molecular weight of 416.50 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,2-diphenylacetamide is sourced from PubChem (CID 42388165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).