2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

C32H26N4O3S2 — CID 43944742

About 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 43944742) has the molecular formula C32H26N4O3S2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

• Compound Name: 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
• PubChem CID: 43944742
• Molecular Formula: C32H26N4O3S2
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.14
• IUPAC Name: 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
• SMILES: C=CCn1/c(=N/C(=O)COCC(=O)/N=c2/sc3c4ccccc4ccc3n2CC=C)sc2c3ccccc3ccc21
• InChI: InChI=1S/C32H26N4O3S2/c1-3-17-35-25-15-13-21-9-5-7-11-23(21)29(25)40-31(35)33-27(37)19-39-20-28(38)34-32-36(18-4-2)26-16-14-22-10-6-8-12-24(22)30(26)41-32/h3-16H,1-2,17-20H2/b33-31-,34-32+
• InChIKey: AUDAHRKISSIZDE-IUQQBYGBSA-N
• XLogP: 5.97
• TPSA: 77.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?

The IUPAC name of 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (CID 43944742) is 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.

What is the SMILES notation for 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?

The canonical SMILES for 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is C=CCn1/c(=N/C(=O)COCC(=O)/N=c2/sc3c4ccccc4ccc3n2CC=C)sc2c3ccccc3ccc21.

What is the InChIKey of 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?

The InChIKey is AUDAHRKISSIZDE-IUQQBYGBSA-N. The full InChI is InChI=1S/C32H26N4O3S2/c1-3-17-35-25-15-13-21-9-5-7-11-23(21)29(25)40-31(35)33-27(37)19-39-20-28(38)34-32-36(18-4-2)26-16-14-22-10-6-8-12-24(22)30(26)41-32/h3-16H,1-2,17-20H2/b33-31-,34-32+.

What are the key properties of 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?

2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 578.72 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 43944742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).