N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

C25H34N4O4S2 — CID 43960050

About N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43960050) has the molecular formula C25H34N4O4S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 43960050
• Molecular Formula: C25H34N4O4S2
• Molecular Weight: 518.71 g/mol
• Exact Mass: 518.20
• IUPAC Name: N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1nc2cc(OC)ccc2s1
• InChI: InChI=1S/C25H34N4O4S2/c1-6-27(7-2)16-17-29(25-26-22-18-20(33-5)12-15-23(22)34-25)24(30)19-10-13-21(14-11-19)35(31,32)28(8-3)9-4/h10-15,18H,6-9,16-17H2,1-5H3
• InChIKey: MYWNQQXZQGGTJB-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.71
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 43960050) is N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1nc2cc(OC)ccc2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is MYWNQQXZQGGTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S2/c1-6-27(7-2)16-17-29(25-26-22-18-20(33-5)12-15-23(22)34-25)24(30)19-10-13-21(14-11-19)35(31,32)28(8-3)9-4/h10-15,18H,6-9,16-17H2,1-5H3.

What are the key properties of N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?

N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 518.71 g/mol, XLogP of 4.32, 12 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-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43960050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).