N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide

C21H19ClN4O4S — CID 35889946

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 35889946) 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]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
• PubChem CID: 35889946
• 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]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)n2)o1
• InChI: InChI=1S/C21H19ClN4O4S/c1-12(27)23-10-14-5-7-18(30-14)16-11-31-21(24-16)25-20(29)15-6-4-13(22)9-17(15)26-8-2-3-19(26)28/h4-7,9,11H,2-3,8,10H2,1H3,(H,23,27)(H,24,25,29)
• InChIKey: ANJMSKTYFMGOGO-UHFFFAOYSA-N
• XLogP: 4.07
• 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	4.07
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]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide (CID 35889946) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)n2)o1.

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

The InChIKey is ANJMSKTYFMGOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4S/c1-12(27)23-10-14-5-7-18(30-14)16-11-31-21(24-16)25-20(29)15-6-4-13(22)9-17(15)26-8-2-3-19(26)28/h4-7,9,11H,2-3,8,10H2,1H3,(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]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 458.93 g/mol, XLogP of 4.07, 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]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 35889946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).