N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

C24H28N2O3S — CID 93479194

About N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93479194) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479194
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
• SMILES: COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1
• InChI: InChI=1S/C24H28N2O3S/c1-16-10-12-26(13-11-16)22(18-6-8-19(28-3)9-7-18)20-15-17(2)30-24(20)25-23(27)21-5-4-14-29-21/h4-9,14-16,22H,10-13H2,1-3H3,(H,25,27)/t22-/m0/s1
• InChIKey: SVLWFISRLACTLO-QFIPXVFZSA-N
• XLogP: 5.73
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (CID 93479194) is N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1.

What is the InChIKey of N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

The InChIKey is SVLWFISRLACTLO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-16-10-12-26(13-11-16)22(18-6-8-19(28-3)9-7-18)20-15-17(2)30-24(20)25-23(27)21-5-4-14-29-21/h4-9,14-16,22H,10-13H2,1-3H3,(H,25,27)/t22-/m0/s1.

What are the key properties of N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?

N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).