N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H24N4O6S — CID 43059787

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43059787) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 43059787
• Molecular Formula: C23H24N4O6S
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.14
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(OC)c(N2CC(C(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)CC2=O)c1
• InChI: InChI=1S/C23H24N4O6S/c1-13(28)24-10-16-5-6-19(33-16)17-12-34-23(25-17)26-22(30)14-8-21(29)27(11-14)18-9-15(31-2)4-7-20(18)32-3/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,24,28)(H,25,26,30)
• InChIKey: PKDAQHZWEJWANB-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 123.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	3.05
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]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 43059787) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CC(C(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)CC2=O)c1.

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

The InChIKey is PKDAQHZWEJWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-13(28)24-10-16-5-6-19(33-16)17-12-34-23(25-17)26-22(30)14-8-21(29)27(11-14)18-9-15(31-2)4-7-20(18)32-3/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,24,28)(H,25,26,30).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 3.05, 8 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]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43059787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).