N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

C25H25N3O4S — CID 46740869

About N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 46740869) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 46740869
• Molecular Formula: C25H25N3O4S
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.16
• IUPAC Name: N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
• SMILES: CCc1cc(C(Nc2ccccn2)c2cccc(OC)c2OC)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C25H25N3O4S/c1-4-16-15-18(25(33-16)28-24(29)20-11-8-14-32-20)22(27-21-12-5-6-13-26-21)17-9-7-10-19(30-2)23(17)31-3/h5-15,22H,4H2,1-3H3,(H,26,27)(H,28,29)
• InChIKey: VYXBCWTZKUZWMG-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 85.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 46740869) is N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc(C(Nc2ccccn2)c2cccc(OC)c2OC)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

The InChIKey is VYXBCWTZKUZWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-4-16-15-18(25(33-16)28-24(29)20-11-8-14-32-20)22(27-21-12-5-6-13-26-21)17-9-7-10-19(30-2)23(17)31-3/h5-15,22H,4H2,1-3H3,(H,26,27)(H,28,29).

What are the key properties of N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?

N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).