N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C28H30F2N4O3S2 — CID 43960436

About N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 43960436) has the molecular formula C28H30F2N4O3S2 and a molecular weight of 572.70 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
• PubChem CID: 43960436
• Molecular Formula: C28H30F2N4O3S2
• Molecular Weight: 572.70 g/mol
• Exact Mass: 572.17
• IUPAC Name: N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1nc2c(F)cc(F)cc2s1
• InChI: InChI=1S/C28H30F2N4O3S2/c1-4-32(5-2)16-17-33(28-31-26-24(30)18-21(29)19-25(26)38-28)27(35)20-12-14-23(15-13-20)39(36,37)34(6-3)22-10-8-7-9-11-22/h7-15,18-19H,4-6,16-17H2,1-3H3
• InChIKey: NZIZBWOQAPWGOV-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 73.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.70
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 43960436) is N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1nc2c(F)cc(F)cc2s1.

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

The InChIKey is NZIZBWOQAPWGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O3S2/c1-4-32(5-2)16-17-33(28-31-26-24(30)18-21(29)19-25(26)38-28)27(35)20-12-14-23(15-13-20)39(36,37)34(6-3)22-10-8-7-9-11-22/h7-15,18-19H,4-6,16-17H2,1-3H3.

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

N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 572.70 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 43960436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).