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

C25H26N4O5S — CID 6900331

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C25H26N4O5S/c1-33-24-8-3-2-7-23(24)28-35(31,32)22-6-4-5-20(17-22)25(30)27-26-18-19-9-11-21(12-10-19)29-13-15-34-16-14-29/h2-12,17-18,28H,13-16H2,1H3,(H,27,30)/b26-18+
InChIKeyGADAZWFVXMXGHE-NLRVBDNBSA-N
MW494.57 g/mol
LogP3.10
Rot. Bonds8

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

3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 6900331) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID6900331
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C25H26N4O5S/c1-33-24-8-3-2-7-23(24)28-35(31,32)22-6-4-5-20(17-22)25(30)27-26-18-19-9-11-21(12-10-19)29-13-15-34-16-14-29/h2-12,17-18,28H,13-16H2,1H3,(H,27,30)/b26-18+
InChIKeyGADAZWFVXMXGHE-NLRVBDNBSA-N
XLogP3.10
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.10
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 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 6900331) is 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is GADAZWFVXMXGHE-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-33-24-8-3-2-7-23(24)28-35(31,32)22-6-4-5-20(17-22)25(30)27-26-18-19-9-11-21(12-10-19)29-13-15-34-16-14-29/h2-12,17-18,28H,13-16H2,1H3,(H,27,30)/b26-18+.
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 494.57 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6900331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).