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

C26H25ClN2O2S — CID 92500992

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

N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 92500992) has the molecular formula C26H25ClN2O2S and a molecular weight of 465.02 g/mol. Its IUPAC name is N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
• PubChem CID: 92500992
• Molecular Formula: C26H25ClN2O2S
• Molecular Weight: 465.02 g/mol
• Exact Mass: 464.13
• IUPAC Name: N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
• SMILES: CC1CCN([C@H](c2ccccc2Cl)c2oc3ccccc3c2NC(=O)c2cccs2)CC1
• InChI: InChI=1S/C26H25ClN2O2S/c1-17-12-14-29(15-13-17)24(18-7-2-4-9-20(18)27)25-23(19-8-3-5-10-21(19)31-25)28-26(30)22-11-6-16-32-22/h2-11,16-17,24H,12-15H2,1H3,(H,28,30)/t24-/m1/s1
• InChIKey: OYNAYCQHXPMWAY-XMMPIXPASA-N
• XLogP: 7.22
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.02
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 92500992) is N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is CC1CCN([C@H](c2ccccc2Cl)c2oc3ccccc3c2NC(=O)c2cccs2)CC1.

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

The InChIKey is OYNAYCQHXPMWAY-XMMPIXPASA-N. The full InChI is InChI=1S/C26H25ClN2O2S/c1-17-12-14-29(15-13-17)24(18-7-2-4-9-20(18)27)25-23(19-8-3-5-10-21(19)31-25)28-26(30)22-11-6-16-32-22/h2-11,16-17,24H,12-15H2,1H3,(H,28,30)/t24-/m1/s1.

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

N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 465.02 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92500992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).