3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide

C20H25N3O4S — CID 6900511

IUPAC3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)28(25,26)18-12-9-11-16(14-18)20(24)22-21-15-17-10-7-8-13-19(17)27-6-3/h7-15H,4-6H2,1-3H3,(H,22,24)/b21-15+
InChIKeySZORDQCZVKQPRS-RCCKNPSSSA-N
MW403.50 g/mol
LogP2.88
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide

3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide (PubChem CID 6900511) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide
PubChem CID6900511
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)28(25,26)18-12-9-11-16(14-18)20(24)22-21-15-17-10-7-8-13-19(17)27-6-3/h7-15H,4-6H2,1-3H3,(H,22,24)/b21-15+
InChIKeySZORDQCZVKQPRS-RCCKNPSSSA-N
XLogP2.88
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide (CID 6900511) is 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide is CCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide?
The InChIKey is SZORDQCZVKQPRS-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-23(5-2)28(25,26)18-12-9-11-16(14-18)20(24)22-21-15-17-10-7-8-13-19(17)27-6-3/h7-15H,4-6H2,1-3H3,(H,22,24)/b21-15+.
What are the key properties of 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide?
3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6900511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).