N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide

C23H25ClN4O4S — CID 123326902

About N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide

N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide (PubChem CID 123326902) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide
• PubChem CID: 123326902
• Molecular Formula: C23H25ClN4O4S
• Molecular Weight: 489.00 g/mol
• Exact Mass: 488.13
• IUPAC Name: N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide
• SMILES: O=C(NC(C(=O)N1CC(Cl)C2OCC(=O)C21)C1CCCCC1)c1ccc(-c2cnccn2)s1
• InChI: InChI=1S/C23H25ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,19-21H,1-5,11-12H2,(H,27,30)
• InChIKey: LMQDNISWQPJYBJ-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.00
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide?

The IUPAC name of N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide (CID 123326902) is N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide?

The canonical SMILES for N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide is O=C(NC(C(=O)N1CC(Cl)C2OCC(=O)C21)C1CCCCC1)c1ccc(-c2cnccn2)s1.

What is the InChIKey of N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide?

The InChIKey is LMQDNISWQPJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,19-21H,1-5,11-12H2,(H,27,30).

What are the key properties of N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide?

N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 123326902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).