N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C23H14ClN3O4S — CID 55726196

About N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55726196) has the molecular formula C23H14ClN3O4S and a molecular weight of 463.90 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 55726196
• Molecular Formula: C23H14ClN3O4S
• Molecular Weight: 463.90 g/mol
• Exact Mass: 463.04
• IUPAC Name: N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
• SMILES: O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
• InChI: InChI=1S/C23H14ClN3O4S/c24-17-10-13(25-20(28)11-14-12-32-21(26-14)19-6-3-9-31-19)7-8-18(17)27-22(29)15-4-1-2-5-16(15)23(27)30/h1-10,12H,11H2,(H,25,28)
• InChIKey: NDVUEJPDLDVGQD-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.90
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 55726196) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1.

What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is NDVUEJPDLDVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3O4S/c24-17-10-13(25-20(28)11-14-12-32-21(26-14)19-6-3-9-31-19)7-8-18(17)27-22(29)15-4-1-2-5-16(15)23(27)30/h1-10,12H,11H2,(H,25,28).

What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 463.90 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55726196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).