N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

C25H24ClN3O2S — CID 92765182

About N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 92765182) has the molecular formula C25H24ClN3O2S and a molecular weight of 466.01 g/mol. Its IUPAC name is N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
• PubChem CID: 92765182
• Molecular Formula: C25H24ClN3O2S
• Molecular Weight: 466.01 g/mol
• Exact Mass: 465.13
• IUPAC Name: N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
• SMILES: CN1CCN([C@@H](c2ccc(Cl)cc2)c2oc3ccccc3c2NC(=O)c2cccs2)CC1
• InChI: InChI=1S/C25H24ClN3O2S/c1-28-12-14-29(15-13-28)23(17-8-10-18(26)11-9-17)24-22(19-5-2-3-6-20(19)31-24)27-25(30)21-7-4-16-32-21/h2-11,16,23H,12-15H2,1H3,(H,27,30)/t23-/m0/s1
• InChIKey: ZWUIVNPMBCMAGD-QHCPKHFHSA-N
• XLogP: 5.74
• TPSA: 48.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.01
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?

The IUPAC name of N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 92765182) is N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is CN1CCN([C@@H](c2ccc(Cl)cc2)c2oc3ccccc3c2NC(=O)c2cccs2)CC1.

What is the InChIKey of N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?

The InChIKey is ZWUIVNPMBCMAGD-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24ClN3O2S/c1-28-12-14-29(15-13-28)23(17-8-10-18(26)11-9-17)24-22(19-5-2-3-6-20(19)31-24)27-25(30)21-7-4-16-32-21/h2-11,16,23H,12-15H2,1H3,(H,27,30)/t23-/m0/s1.

What are the key properties of N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?

N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 466.01 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).