3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide

C20H25N3O6S — CID 135401291

IUPAC3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)c1
InChIInChI=1S/C20H25N3O6S/c1-5-23(6-2)30(26,27)16-9-7-8-15(12-16)20(25)22-21-13-14-10-17(28-3)19(24)18(11-14)29-4/h7-13,24H,5-6H2,1-4H3,(H,22,25)/b21-13+
InChIKeyDYCMWLKSLDUFPP-FYJGNVAPSA-N
MW435.50 g/mol
LogP2.20
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide

3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 135401291) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID135401291
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Name3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)c1
InChIInChI=1S/C20H25N3O6S/c1-5-23(6-2)30(26,27)16-9-7-8-15(12-16)20(25)22-21-13-14-10-17(28-3)19(24)18(11-14)29-4/h7-13,24H,5-6H2,1-4H3,(H,22,25)/b21-13+
InChIKeyDYCMWLKSLDUFPP-FYJGNVAPSA-N
XLogP2.20
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide (CID 135401291) is 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is DYCMWLKSLDUFPP-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-5-23(6-2)30(26,27)16-9-7-8-15(12-16)20(25)22-21-13-14-10-17(28-3)19(24)18(11-14)29-4/h7-13,24H,5-6H2,1-4H3,(H,22,25)/b21-13+.
What are the key properties of 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide?
3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 435.50 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135401291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).