3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide

C25H18ClN3O3S — CID 55765315

About 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide

3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55765315) has the molecular formula C25H18ClN3O3S and a molecular weight of 475.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide
• PubChem CID: 55765315
• Molecular Formula: C25H18ClN3O3S
• Molecular Weight: 475.96 g/mol
• Exact Mass: 475.08
• IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1nc(-c2ccccc2NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)no1
• InChI: InChI=1S/C25H18ClN3O3S/c1-15-27-24(29-32-15)19-7-2-4-8-21(19)28-25(30)23-20(18-6-3-5-9-22(18)31-23)14-33-17-12-10-16(26)11-13-17/h2-13H,14H2,1H3,(H,28,30)
• InChIKey: USKCVGZSPVZDER-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.96
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide (CID 55765315) is 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)no1.

What is the InChIKey of 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide?

The InChIKey is USKCVGZSPVZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3S/c1-15-27-24(29-32-15)19-7-2-4-8-21(19)28-25(30)23-20(18-6-3-5-9-22(18)31-23)14-33-17-12-10-16(26)11-13-17/h2-13H,14H2,1H3,(H,28,30).

What are the key properties of 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide?

3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 475.96 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55765315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).