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

C24H21N5O5S — CID 6892875

IUPAC4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1
InChIInChI=1S/C24H21N5O5S/c1-2-33-19-8-4-18(5-9-19)23(30)28-27-16-20-10-13-22(34-20)17-6-11-21(12-7-17)35(31,32)29-24-25-14-3-15-26-24/h3-16H,2H2,1H3,(H,28,30)(H,25,26,29)/b27-16+
InChIKeyGGDYNGQLHSQWEO-JVWAILMASA-N
MW491.53 g/mol
LogP3.70
Rot. Bonds9

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

4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide (PubChem CID 6892875) has the molecular formula C24H21N5O5S and a molecular weight of 491.53 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
PubChem CID6892875
Molecular FormulaC24H21N5O5S
Molecular Weight491.53 g/mol
Exact Mass491.13
IUPAC Name4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1
InChIInChI=1S/C24H21N5O5S/c1-2-33-19-8-4-18(5-9-19)23(30)28-27-16-20-10-13-22(34-20)17-6-11-21(12-7-17)35(31,32)29-24-25-14-3-15-26-24/h3-16H,2H2,1H3,(H,28,30)(H,25,26,29)/b27-16+
InChIKeyGGDYNGQLHSQWEO-JVWAILMASA-N
XLogP3.70
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 53.70
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'}

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Related Compounds

N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298634
4-propoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 6892851
3-hydroxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 6892904
4-propan-2-yloxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 6893114
[[5-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiourea
CID 2112750
N-(Phenylsulfonyl)-4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)benzamide
CID 86278019
4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1283762
[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]urea
CID 16315340
N-((4-(aminomethyl)phenyl)sulfonyl)-4-(1-(3-(pyrimidin-5-yloxy)phenyl)ethoxy)-3-(trifluoromethyl)benzamide
CID 176879083
3-phenoxy-N-[(E)-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 162371034
4-[5-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 2082143
4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2129652

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide (CID 6892875) is 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The InChIKey is GGDYNGQLHSQWEO-JVWAILMASA-N. The full InChI is InChI=1S/C24H21N5O5S/c1-2-33-19-8-4-18(5-9-19)23(30)28-27-16-20-10-13-22(34-20)17-6-11-21(12-7-17)35(31,32)29-24-25-14-3-15-26-24/h3-16H,2H2,1H3,(H,28,30)(H,25,26,29)/b27-16+.
What are the key properties of 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide?
4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide has a molecular weight of 491.53 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 6892875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).