4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

C28H31N3O4S2 — CID 43938923

About 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 43938923) has the molecular formula C28H31N3O4S2 and a molecular weight of 537.71 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• PubChem CID: 43938923
• Molecular Formula: C28H31N3O4S2
• Molecular Weight: 537.71 g/mol
• Exact Mass: 537.18
• IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• SMILES: CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)cc(C)c3n2CCOC)cc1
• InChI: InChI=1S/C28H31N3O4S2/c1-5-30(19-22-9-7-6-8-10-22)37(33,34)24-13-11-23(12-14-24)27(32)29-28-31(15-16-35-4)26-21(3)17-20(2)18-25(26)36-28/h6-14,17-18H,5,15-16,19H2,1-4H3/b29-28-
• InChIKey: UYGJCVAYFDNWLV-ZIADKAODSA-N
• XLogP: 4.92
• TPSA: 80.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.71
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (CID 43938923) is 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)cc(C)c3n2CCOC)cc1.

What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The InChIKey is UYGJCVAYFDNWLV-ZIADKAODSA-N. The full InChI is InChI=1S/C28H31N3O4S2/c1-5-30(19-22-9-7-6-8-10-22)37(33,34)24-13-11-23(12-14-24)27(32)29-28-31(15-16-35-4)26-21(3)17-20(2)18-25(26)36-28/h6-14,17-18H,5,15-16,19H2,1-4H3/b29-28-.

What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 537.71 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(ethyl)sulfamoyl]-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 43938923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).