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

C25H22F3N3O2S — CID 93480199

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

N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93480199) has the molecular formula C25H22F3N3O2S and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93480199
• Molecular Formula: C25H22F3N3O2S
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.14
• IUPAC Name: N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc([C@H](Nc2cccc(C)n2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C25H22F3N3O2S/c1-3-18-14-19(24(34-18)31-23(32)20-7-5-13-33-20)22(30-21-8-4-6-15(2)29-21)16-9-11-17(12-10-16)25(26,27)28/h4-14,22H,3H2,1-2H3,(H,29,30)(H,31,32)/t22-/m1/s1
• InChIKey: JJLRQGCRCIBRIH-JOCHJYFZSA-N
• XLogP: 7.08
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide (CID 93480199) is N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide.

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

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

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

The InChIKey is JJLRQGCRCIBRIH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22F3N3O2S/c1-3-18-14-19(24(34-18)31-23(32)20-7-5-13-33-20)22(30-21-8-4-6-15(2)29-21)16-9-11-17(12-10-16)25(26,27)28/h4-14,22H,3H2,1-2H3,(H,29,30)(H,31,32)/t22-/m1/s1.

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

N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 485.53 g/mol, XLogP of 7.08, 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)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93480199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).