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

C22H21N3O5S — CID 6900897

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3OC)c2)cc1
InChIInChI=1S/C22H21N3O5S/c1-29-19-12-10-18(11-13-19)25-31(27,28)20-8-5-7-16(14-20)22(26)24-23-15-17-6-3-4-9-21(17)30-2/h3-15,25H,1-2H3,(H,24,26)/b23-15+
InChIKeyOSRLITXALWFNGU-HZHRSRAPSA-N
MW439.49 g/mol
LogP3.27
Rot. Bonds8

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

N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 6900897) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID6900897
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3OC)c2)cc1
InChIInChI=1S/C22H21N3O5S/c1-29-19-12-10-18(11-13-19)25-31(27,28)20-8-5-7-16(14-20)22(26)24-23-15-17-6-3-4-9-21(17)30-2/h3-15,25H,1-2H3,(H,24,26)/b23-15+
InChIKeyOSRLITXALWFNGU-HZHRSRAPSA-N
XLogP3.27
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
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)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 6900897) is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3OC)c2)cc1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is OSRLITXALWFNGU-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-29-19-12-10-18(11-13-19)25-31(27,28)20-8-5-7-16(14-20)22(26)24-23-15-17-6-3-4-9-21(17)30-2/h3-15,25H,1-2H3,(H,24,26)/b23-15+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 439.49 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 6900897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).