N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

C24H32N4O4S2 — CID 41346477

About N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41346477) has the molecular formula C24H32N4O4S2 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 41346477
• Molecular Formula: C24H32N4O4S2
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.19
• IUPAC Name: N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc2c(OC)ccc(C)c2s1
• InChI: InChI=1S/C24H32N4O4S2/c1-7-27(8-2)15-16-28(24-25-21-20(32-6)14-9-17(3)22(21)33-24)23(29)18-10-12-19(13-11-18)34(30,31)26(4)5/h9-14H,7-8,15-16H2,1-6H3
• InChIKey: MUFGRXWRJYGUOM-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (CID 41346477) is N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc2c(OC)ccc(C)c2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is MUFGRXWRJYGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S2/c1-7-27(8-2)15-16-28(24-25-21-20(32-6)14-9-17(3)22(21)33-24)23(29)18-10-12-19(13-11-18)34(30,31)26(4)5/h9-14H,7-8,15-16H2,1-6H3.

What are the key properties of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?

N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 504.68 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41346477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).