N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C23H22N4O5S — CID 6903928

IUPACN-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H22N4O5S/c1-16(28)25-19-12-10-17(11-13-19)15-24-26-23(29)18-6-5-7-20(14-18)33(30,31)27-21-8-3-4-9-22(21)32-2/h3-15,27H,1-2H3,(H,25,28)(H,26,29)/b24-15+
InChIKeyFIZVJKYJLJXBDH-BUVRLJJBSA-N
MW466.52 g/mol
LogP3.22
Rot. Bonds8

About N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 6903928) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID6903928
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC NameN-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H22N4O5S/c1-16(28)25-19-12-10-17(11-13-19)15-24-26-23(29)18-6-5-7-20(14-18)33(30,31)27-21-8-3-4-9-22(21)32-2/h3-15,27H,1-2H3,(H,25,28)(H,26,29)/b24-15+
InChIKeyFIZVJKYJLJXBDH-BUVRLJJBSA-N
XLogP3.22
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 6903928) is N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is FIZVJKYJLJXBDH-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-16(28)25-19-12-10-17(11-13-19)15-24-26-23(29)18-6-5-7-20(14-18)33(30,31)27-21-8-3-4-9-22(21)32-2/h3-15,27H,1-2H3,(H,25,28)(H,26,29)/b24-15+.
What are the key properties of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 466.52 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 6903928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).