5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

C20H17N3O6S — CID 20923121

IUPAC5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C20H17N3O6S/c1-28-16-7-6-13(10-17(16)30(26,27)22-11-14-4-3-9-29-14)12-23-19(24)15-5-2-8-21-18(15)20(23)25/h2-10,22H,11-12H2,1H3
InChIKeyVCKGTDUIJFMUDS-UHFFFAOYSA-N
MW427.44 g/mol
LogP1.96
Rot. Bonds7

About 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (PubChem CID 20923121) has the molecular formula C20H17N3O6S and a molecular weight of 427.44 g/mol. Its IUPAC name is 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
PubChem CID20923121
Molecular FormulaC20H17N3O6S
Molecular Weight427.44 g/mol
Exact Mass427.08
IUPAC Name5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C20H17N3O6S/c1-28-16-7-6-13(10-17(16)30(26,27)22-11-14-4-3-9-29-14)12-23-19(24)15-5-2-8-21-18(15)20(23)25/h2-10,22H,11-12H2,1H3
InChIKeyVCKGTDUIJFMUDS-UHFFFAOYSA-N
XLogP1.96
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (CID 20923121) is 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The InChIKey is VCKGTDUIJFMUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6S/c1-28-16-7-6-13(10-17(16)30(26,27)22-11-14-4-3-9-29-14)12-23-19(24)15-5-2-8-21-18(15)20(23)25/h2-10,22H,11-12H2,1H3.
What are the key properties of 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide has a molecular weight of 427.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 20923121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).