N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide

C22H21N3O4S — CID 20846867

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21N3O4S/c1-16-11-13-18(14-12-16)30(27,28)25-20-9-5-4-8-19(20)22(26)24-23-15-17-7-3-6-10-21(17)29-2/h3-15,25H,1-2H3,(H,24,26)/b23-15+
InChIKeyGFHLDWKQTUPVMO-HZHRSRAPSA-N
MW423.49 g/mol
LogP3.57
Rot. Bonds7

About N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 20846867) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID20846867
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21N3O4S/c1-16-11-13-18(14-12-16)30(27,28)25-20-9-5-4-8-19(20)22(26)24-23-15-17-7-3-6-10-21(17)29-2/h3-15,25H,1-2H3,(H,24,26)/b23-15+
InChIKeyGFHLDWKQTUPVMO-HZHRSRAPSA-N
XLogP3.57
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 20846867) is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is GFHLDWKQTUPVMO-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-16-11-13-18(14-12-16)30(27,28)25-20-9-5-4-8-19(20)22(26)24-23-15-17-7-3-6-10-21(17)29-2/h3-15,25H,1-2H3,(H,24,26)/b23-15+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 20846867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).