N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C25H24N4O5S — CID 55576425

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55576425) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
• PubChem CID: 55576425
• Molecular Formula: C25H24N4O5S
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.15
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
• SMILES: CCOc1cc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)ccc1OCc1cccnc1
• InChI: InChI=1S/C25H24N4O5S/c1-3-32-23-11-18(6-8-22(23)33-14-17-5-4-10-26-12-17)24(31)29-25-28-20(15-35-25)21-9-7-19(34-21)13-27-16(2)30/h4-12,15H,3,13-14H2,1-2H3,(H,27,30)(H,28,29,31)
• InChIKey: SSJPTGPTVKMWJT-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 115.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 55576425) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)ccc1OCc1cccnc1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

The InChIKey is SSJPTGPTVKMWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-3-32-23-11-18(6-8-22(23)33-14-17-5-4-10-26-12-17)24(31)29-25-28-20(15-35-25)21-9-7-19(34-21)13-27-16(2)30/h4-12,15H,3,13-14H2,1-2H3,(H,27,30)(H,28,29,31).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 492.56 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55576425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).