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

C21H19ClN4O4S — CID 46587330

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46587330) has the molecular formula C21H19ClN4O4S and a molecular weight of 458.93 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 46587330
• Molecular Formula: C21H19ClN4O4S
• Molecular Weight: 458.93 g/mol
• Exact Mass: 458.08
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4cccc(Cl)c4)C3)n2)o1
• InChI: InChI=1S/C21H19ClN4O4S/c1-12(27)23-9-16-5-6-18(30-16)17-11-31-21(24-17)25-20(29)13-7-19(28)26(10-13)15-4-2-3-14(22)8-15/h2-6,8,11,13H,7,9-10H2,1H3,(H,23,27)(H,24,25,29)
• InChIKey: AQJPRJSGSKTNRP-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.93
LogP ≤ 5	3.68
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]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 46587330) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4cccc(Cl)c4)C3)n2)o1.

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

The InChIKey is AQJPRJSGSKTNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4S/c1-12(27)23-9-16-5-6-18(30-16)17-11-31-21(24-17)25-20(29)13-7-19(28)26(10-13)15-4-2-3-14(22)8-15/h2-6,8,11,13H,7,9-10H2,1H3,(H,23,27)(H,24,25,29).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 458.93 g/mol, XLogP of 3.68, 6 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]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46587330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).