4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

C24H26F2N4O3S2 — CID 43959192

About 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 43959192) has the molecular formula C24H26F2N4O3S2 and a molecular weight of 520.63 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
• PubChem CID: 43959192
• Molecular Formula: C24H26F2N4O3S2
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.14
• IUPAC Name: 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
• SMILES: C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)cc1
• InChI: InChI=1S/C24H26F2N4O3S2/c1-5-11-29(12-6-2)35(32,33)19-9-7-17(8-10-19)23(31)30(14-13-28(3)4)24-27-22-20(26)15-18(25)16-21(22)34-24/h5-10,15-16H,1-2,11-14H2,3-4H3
• InChIKey: YXPALOQRDYCFOJ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 73.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (CID 43959192) is 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.

What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)cc1.

What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

The InChIKey is YXPALOQRDYCFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S2/c1-5-11-29(12-6-2)35(32,33)19-9-7-17(8-10-19)23(31)30(14-13-28(3)4)24-27-22-20(26)15-18(25)16-21(22)34-24/h5-10,15-16H,1-2,11-14H2,3-4H3.

What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 520.63 g/mol, XLogP of 4.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 43959192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).