N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide

C23H20FN3O2S — CID 93480172

About N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93480172) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93480172
• Molecular Formula: C23H20FN3O2S
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.13
• IUPAC Name: N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc([C@@H](Nc2ccccn2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C23H20FN3O2S/c1-2-17-14-18(23(30-17)27-22(28)19-9-6-12-29-19)21(15-7-5-8-16(24)13-15)26-20-10-3-4-11-25-20/h3-14,21H,2H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1
• InChIKey: IWHSFDCOUFUQES-NRFANRHFSA-N
• XLogP: 5.89
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide (CID 93480172) is N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide is CCc1cc([C@@H](Nc2ccccn2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is IWHSFDCOUFUQES-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-2-17-14-18(23(30-17)27-22(28)19-9-6-12-29-19)21(15-7-5-8-16(24)13-15)26-20-10-3-4-11-25-20/h3-14,21H,2H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1.

What are the key properties of N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 5.89, 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-[(S)-(3-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93480172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).