N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

C25H23N3O5S — CID 69049002

About N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 69049002) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
• PubChem CID: 69049002
• Molecular Formula: C25H23N3O5S
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.14
• IUPAC Name: N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
• SMILES: O=C(NC(Cc1cccc(O)c1)C(=O)N1CCC2OCC(=O)C21)c1cncc(-c2cccs2)c1
• InChI: InChI=1S/C25H23N3O5S/c29-18-4-1-3-15(9-18)10-19(25(32)28-7-6-21-23(28)20(30)14-33-21)27-24(31)17-11-16(12-26-13-17)22-5-2-8-34-22/h1-5,8-9,11-13,19,21,23,29H,6-7,10,14H2,(H,27,31)
• InChIKey: RFLGTISLPXGQKU-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 108.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 69049002) is N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is O=C(NC(Cc1cccc(O)c1)C(=O)N1CCC2OCC(=O)C21)c1cncc(-c2cccs2)c1.

What is the InChIKey of N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

The InChIKey is RFLGTISLPXGQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c29-18-4-1-3-15(9-18)10-19(25(32)28-7-6-21-23(28)20(30)14-33-21)27-24(31)17-11-16(12-26-13-17)22-5-2-8-34-22/h1-5,8-9,11-13,19,21,23,29H,6-7,10,14H2,(H,27,31).

What are the key properties of N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?

N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69049002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).