N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

C26H31N3O8S — CID 90741130

About N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (PubChem CID 90741130) has the molecular formula C26H31N3O8S and a molecular weight of 545.61 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
• PubChem CID: 90741130
• Molecular Formula: C26H31N3O8S
• Molecular Weight: 545.61 g/mol
• Exact Mass: 545.18
• IUPAC Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
• SMILES: Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21
• InChI: InChI=1S/C26H31N3O8S/c1-16-19(14-23(37-16)38(34,35)28-10-2-3-11-28)25(32)27-20(13-17-6-8-18(30)9-7-17)26(33)29-12-4-5-22-24(29)21(31)15-36-22/h6-9,14,20,22,24,30H,2-5,10-13,15H2,1H3,(H,27,32)
• InChIKey: CHDMCSLCOLGMBD-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 146.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.61
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?

The IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (CID 90741130) is N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.

What is the SMILES notation for N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?

The canonical SMILES for N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21.

What is the InChIKey of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?

The InChIKey is CHDMCSLCOLGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O8S/c1-16-19(14-23(37-16)38(34,35)28-10-2-3-11-28)25(32)27-20(13-17-6-8-18(30)9-7-17)26(33)29-12-4-5-22-24(29)21(31)15-36-22/h6-9,14,20,22,24,30H,2-5,10-13,15H2,1H3,(H,27,32).

What are the key properties of N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?

N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide has a molecular weight of 545.61 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is sourced from PubChem (CID 90741130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).