3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide

C26H19N5O5S — CID 6892904

IUPAC3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cc2ccccc2cc1O
InChIInChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)/b29-16+
InChIKeyRUMPAMJMDBPTGC-MUFRIFMGSA-N
MW513.54 g/mol
LogP4.16
Rot. Bonds7

About 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 6892904) has the molecular formula C26H19N5O5S and a molecular weight of 513.54 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide
PubChem CID6892904
Molecular FormulaC26H19N5O5S
Molecular Weight513.54 g/mol
Exact Mass513.11
IUPAC Name3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cc2ccccc2cc1O
InChIInChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)/b29-16+
InChIKeyRUMPAMJMDBPTGC-MUFRIFMGSA-N
XLogP4.16
TPSA146.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.54
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide (CID 6892904) is 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is RUMPAMJMDBPTGC-MUFRIFMGSA-N. The full InChI is InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)/b29-16+.
What are the key properties of 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 513.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6892904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).