4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

C25H27N3O5S2 — CID 18570613

About 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 18570613) has the molecular formula C25H27N3O5S2 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 18570613
• Molecular Formula: C25H27N3O5S2
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.14
• IUPAC Name: 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
• SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1
• InChI: InChI=1S/C25H27N3O5S2/c1-4-13-28(14-5-2)35(30,31)19-11-9-17(10-12-19)24(29)27-25-26-20(16-34-25)22-15-18-7-6-8-21(32-3)23(18)33-22/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,27,29)
• InChIKey: LUGFSHNORKULMF-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide (CID 18570613) is 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1.

What is the InChIKey of 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is LUGFSHNORKULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S2/c1-4-13-28(14-5-2)35(30,31)19-11-9-17(10-12-19)24(29)27-25-26-20(16-34-25)22-15-18-7-6-8-21(32-3)23(18)33-22/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,27,29).

What are the key properties of 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide?

4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 513.64 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18570613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).