N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C20H16FN3O4S — CID 17497621

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17497621) has the molecular formula C20H16FN3O4S and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 17497621
• Molecular Formula: C20H16FN3O4S
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.08
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3oc4ccc(F)cc4c3C)n2)o1
• InChI: InChI=1S/C20H16FN3O4S/c1-10-14-7-12(21)3-5-16(14)28-18(10)19(26)24-20-23-15(9-29-20)17-6-4-13(27-17)8-22-11(2)25/h3-7,9H,8H2,1-2H3,(H,22,25)(H,23,24,26)
• InChIKey: HUHXZNCMCZOVSZ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 97.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 17497621) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3oc4ccc(F)cc4c3C)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is HUHXZNCMCZOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4S/c1-10-14-7-12(21)3-5-16(14)28-18(10)19(26)24-20-23-15(9-29-20)17-6-4-13(27-17)8-22-11(2)25/h3-7,9H,8H2,1-2H3,(H,22,25)(H,23,24,26).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17497621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).