4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

C26H34N4O4S2 — CID 43958999

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43958999) has the molecular formula C26H34N4O4S2 and a molecular weight of 530.72 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 43958999
• Molecular Formula: C26H34N4O4S2
• Molecular Weight: 530.72 g/mol
• Exact Mass: 530.20
• IUPAC Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1
• InChI: InChI=1S/C26H34N4O4S2/c1-28(2)16-17-30(26-27-23-18-21(34-4)12-15-24(23)35-26)25(31)19-10-13-22(14-11-19)36(32,33)29(3)20-8-6-5-7-9-20/h10-15,18,20H,5-9,16-17H2,1-4H3
• InChIKey: FDWNWVWEZYKORI-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.72
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 43958999) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

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

The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1.

What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is FDWNWVWEZYKORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S2/c1-28(2)16-17-30(26-27-23-18-21(34-4)12-15-24(23)35-26)25(31)19-10-13-22(14-11-19)36(32,33)29(3)20-8-6-5-7-9-20/h10-15,18,20H,5-9,16-17H2,1-4H3.

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

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 530.72 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43958999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).