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

C20H21N3O5S — CID 42378203

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide (PubChem CID 42378203) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide
• PubChem CID: 42378203
• Molecular Formula: C20H21N3O5S
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.12
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide
• SMILES: CCOc1cc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)ccc1OC
• InChI: InChI=1S/C20H21N3O5S/c1-4-27-18-9-13(5-7-17(18)26-3)19(25)23-20-22-15(11-29-20)16-8-6-14(28-16)10-21-12(2)24/h5-9,11H,4,10H2,1-3H3,(H,21,24)(H,22,23,25)
• InChIKey: LAJYDIKSERSRMT-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 102.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide (CID 42378203) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)ccc1OC.

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

The InChIKey is LAJYDIKSERSRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-4-27-18-9-13(5-7-17(18)26-3)19(25)23-20-22-15(11-29-20)16-8-6-14(28-16)10-21-12(2)24/h5-9,11H,4,10H2,1-3H3,(H,21,24)(H,22,23,25).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 415.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-methoxybenzamide is sourced from PubChem (CID 42378203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).