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

C25H30N2O3S — CID 93479250

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

N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93479250) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479250
• Molecular Formula: C25H30N2O3S
• Molecular Weight: 438.59 g/mol
• Exact Mass: 438.20
• IUPAC Name: N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc([C@H](c2ccccc2OC)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C25H30N2O3S/c1-4-18-16-20(25(31-18)26-24(28)22-10-7-15-30-22)23(27-13-11-17(2)12-14-27)19-8-5-6-9-21(19)29-3/h5-10,15-17,23H,4,11-14H2,1-3H3,(H,26,28)/t23-/m0/s1
• InChIKey: RLBFAWBABXTTDL-QHCPKHFHSA-N
• XLogP: 5.99
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.59
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 93479250) is N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide is CCc1cc([C@H](c2ccccc2OC)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1.

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

The InChIKey is RLBFAWBABXTTDL-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-4-18-16-20(25(31-18)26-24(28)22-10-7-15-30-22)23(27-13-11-17(2)12-14-27)19-8-5-6-9-21(19)29-3/h5-10,15-17,23H,4,11-14H2,1-3H3,(H,26,28)/t23-/m0/s1.

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

N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).