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

C27H29N3O5S2 — CID 44949007

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

4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 44949007) has the molecular formula C27H29N3O5S2 and a molecular weight of 539.68 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 44949007
• Molecular Formula: C27H29N3O5S2
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.15
• IUPAC Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: COc1ccc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1
• InChI: InChI=1S/C27H29N3O5S2/c1-29(20-7-4-3-5-8-20)37(32,33)23-13-10-19(11-14-23)26(31)30(18-22-9-6-16-35-22)27-28-24-17-21(34-2)12-15-25(24)36-27/h6,9-17,20H,3-5,7-8,18H2,1-2H3
• InChIKey: XSLYBGOXYPWPFO-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 92.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 44949007) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

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

The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1.

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

The InChIKey is XSLYBGOXYPWPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5S2/c1-29(20-7-4-3-5-8-20)37(32,33)23-13-10-19(11-14-23)26(31)30(18-22-9-6-16-35-22)27-28-24-17-21(34-2)12-15-25(24)36-27/h6,9-17,20H,3-5,7-8,18H2,1-2H3.

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

4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 539.68 g/mol, XLogP of 5.70, 8 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-(furan-2-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 44949007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).