4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide

C30H35ClN4O3S2 — CID 43963166

About 4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 43963166) has the molecular formula C30H35ClN4O3S2 and a molecular weight of 599.22 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
• PubChem CID: 43963166
• Molecular Formula: C30H35ClN4O3S2
• Molecular Weight: 599.22 g/mol
• Exact Mass: 598.18
• IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1)c1nc2c(C)cc(Cl)cc2s1
• InChI: InChI=1S/C30H35ClN4O3S2/c1-5-33(6-2)17-18-35(30-32-28-22(4)19-25(31)20-27(28)39-30)29(36)24-13-15-26(16-14-24)40(37,38)34(7-3)21-23-11-9-8-10-12-23/h8-16,19-20H,5-7,17-18,21H2,1-4H3
• InChIKey: QZSCQTCDWWMOHF-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 73.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.22
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide (CID 43963166) is 4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide.

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

The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1)c1nc2c(C)cc(Cl)cc2s1.

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

The InChIKey is QZSCQTCDWWMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O3S2/c1-5-33(6-2)17-18-35(30-32-28-22(4)19-25(31)20-27(28)39-30)29(36)24-13-15-26(16-14-24)40(37,38)34(7-3)21-23-11-9-8-10-12-23/h8-16,19-20H,5-7,17-18,21H2,1-4H3.

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

4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 599.22 g/mol, XLogP of 6.46, 12 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-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 43963166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).