N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide

C25H25N3O2S — CID 93480205

About N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93480205) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93480205
• Molecular Formula: C25H25N3O2S
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.17
• IUPAC Name: N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc([C@H](Nc2cccc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C25H25N3O2S/c1-4-19-15-20(25(31-19)28-24(29)21-8-6-14-30-21)23(18-12-10-16(2)11-13-18)27-22-9-5-7-17(3)26-22/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/t23-/m1/s1
• InChIKey: DYSGLEPZWMAWPX-HSZRJFAPSA-N
• XLogP: 6.37
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide (CID 93480205) is N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide is CCc1cc([C@H](Nc2cccc(C)n2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is DYSGLEPZWMAWPX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-4-19-15-20(25(31-19)28-24(29)21-8-6-14-30-21)23(18-12-10-16(2)11-13-18)27-22-9-5-7-17(3)26-22/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/t23-/m1/s1.

What are the key properties of N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93480205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).