4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C30H35N3O4S2 — CID 43989877

About 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43989877) has the molecular formula C30H35N3O4S2 and a molecular weight of 565.76 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 43989877
• Molecular Formula: C30H35N3O4S2
• Molecular Weight: 565.76 g/mol
• Exact Mass: 565.21
• IUPAC Name: 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(C(C)C)cccc3s2)cc1
• InChI: InChI=1S/C30H35N3O4S2/c1-4-33(23-10-6-5-7-11-23)39(35,36)25-17-15-22(16-18-25)29(34)32(20-24-12-9-19-37-24)30-31-28-26(21(2)3)13-8-14-27(28)38-30/h8-9,12-19,21,23H,4-7,10-11,20H2,1-3H3
• InChIKey: YEJBNFRBURHJOK-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.76
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 43989877) is 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

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

The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(C(C)C)cccc3s2)cc1.

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

The InChIKey is YEJBNFRBURHJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4S2/c1-4-33(23-10-6-5-7-11-23)39(35,36)25-17-15-22(16-18-25)29(34)32(20-24-12-9-19-37-24)30-31-28-26(21(2)3)13-8-14-27(28)38-30/h8-9,12-19,21,23H,4-7,10-11,20H2,1-3H3.

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

4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 565.76 g/mol, XLogP of 7.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclohexyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43989877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).