N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C23H23N3O6S — CID 2434155

IUPACN-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(OC)cc3OC)c2)cc1
InChIInChI=1S/C23H23N3O6S/c1-30-19-11-8-18(9-12-19)26-33(28,29)21-6-4-5-16(13-21)23(27)25-24-15-17-7-10-20(31-2)14-22(17)32-3/h4-15,26H,1-3H3,(H,25,27)
InChIKeyFSHQPVJYBKUELM-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.28
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 2434155) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID2434155
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(OC)cc3OC)c2)cc1
InChIInChI=1S/C23H23N3O6S/c1-30-19-11-8-18(9-12-19)26-33(28,29)21-6-4-5-16(13-21)23(27)25-24-15-17-7-10-20(31-2)14-22(17)32-3/h4-15,26H,1-3H3,(H,25,27)
InChIKeyFSHQPVJYBKUELM-UHFFFAOYSA-N
XLogP3.28
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 2434155) is N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(OC)cc3OC)c2)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is FSHQPVJYBKUELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-30-19-11-8-18(9-12-19)26-33(28,29)21-6-4-5-16(13-21)23(27)25-24-15-17-7-10-20(31-2)14-22(17)32-3/h4-15,26H,1-3H3,(H,25,27).
What are the key properties of N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 469.52 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2434155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).