4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

C25H24N4O4S2 — CID 41364434

About 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 41364434) has the molecular formula C25H24N4O4S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 41364434
• Molecular Formula: C25H24N4O4S2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.12
• IUPAC Name: 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
• SMILES: COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)nc12
• InChI: InChI=1S/C25H24N4O4S2/c1-28(19-10-11-19)35(31,32)20-12-8-18(9-13-20)24(30)29(16-17-5-4-14-26-15-17)25-27-23-21(33-2)6-3-7-22(23)34-25/h3-9,12-15,19H,10-11,16H2,1-2H3
• InChIKey: ZIGDZLUAOYJSOU-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 92.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 41364434) is 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)nc12.

What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is ZIGDZLUAOYJSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S2/c1-28(19-10-11-19)35(31,32)20-12-8-18(9-13-20)24(30)29(16-17-5-4-14-26-15-17)25-27-23-21(33-2)6-3-7-22(23)34-25/h3-9,12-15,19H,10-11,16H2,1-2H3.

What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 508.63 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 41364434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).