4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide

C25H23N5O5S — CID 6893114

IUPAC4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1
InChIInChI=1S/C25H23N5O5S/c1-17(2)34-20-8-4-19(5-9-20)24(31)29-28-16-21-10-13-23(35-21)18-6-11-22(12-7-18)36(32,33)30-25-26-14-3-15-27-25/h3-17H,1-2H3,(H,29,31)(H,26,27,30)/b28-16+
InChIKeyZSURAMXESAHSGZ-LQKURTRISA-N
MW505.56 g/mol
LogP4.09
Rot. Bonds9

About 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide

4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide (PubChem CID 6893114) has the molecular formula C25H23N5O5S and a molecular weight of 505.56 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
PubChem CID6893114
Molecular FormulaC25H23N5O5S
Molecular Weight505.56 g/mol
Exact Mass505.14
IUPAC Name4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1
InChIInChI=1S/C25H23N5O5S/c1-17(2)34-20-8-4-19(5-9-20)24(31)29-28-16-21-10-13-23(35-21)18-6-11-22(12-7-18)36(32,33)30-25-26-14-3-15-27-25/h3-17H,1-2H3,(H,29,31)(H,26,27,30)/b28-16+
InChIKeyZSURAMXESAHSGZ-LQKURTRISA-N
XLogP4.09
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide 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 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide (CID 6893114) is 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide is CC(C)Oc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The InChIKey is ZSURAMXESAHSGZ-LQKURTRISA-N. The full InChI is InChI=1S/C25H23N5O5S/c1-17(2)34-20-8-4-19(5-9-20)24(31)29-28-16-21-10-13-23(35-21)18-6-11-22(12-7-18)36(32,33)30-25-26-14-3-15-27-25/h3-17H,1-2H3,(H,29,31)(H,26,27,30)/b28-16+.
What are the key properties of 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide has a molecular weight of 505.56 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 6893114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).