4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

C25H26N4O4S2 — CID 41055606

About 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41055606) has the molecular formula C25H26N4O4S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 41055606
• Molecular Formula: C25H26N4O4S2
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.14
• IUPAC Name: 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(OC)ccc3s2)cc1
• InChI: InChI=1S/C25H26N4O4S2/c1-4-28(5-2)35(31,32)21-12-9-18(10-13-21)24(30)29(17-19-8-6-7-15-26-19)25-27-22-16-20(33-3)11-14-23(22)34-25/h6-16H,4-5,17H2,1-3H3
• InChIKey: LSABXRWZWUXCSN-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 92.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 41055606) is 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(OC)ccc3s2)cc1.

What is the InChIKey of 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is LSABXRWZWUXCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S2/c1-4-28(5-2)35(31,32)21-12-9-18(10-13-21)24(30)29(17-19-8-6-7-15-26-19)25-27-22-16-20(33-3)11-14-23(22)34-25/h6-16H,4-5,17H2,1-3H3.

What are the key properties of 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 510.64 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 41055606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).