3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

C20H19N3O5S — CID 8972293

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccc(C)o3)c2)cc1
InChIInChI=1S/C20H19N3O5S/c1-14-6-9-18(28-14)13-21-22-20(24)15-4-3-5-19(12-15)29(25,26)23-16-7-10-17(27-2)11-8-16/h3-13,23H,1-2H3,(H,22,24)/b21-13-
InChIKeyAGXGBYBSFFPERM-BKUYFWCQSA-N
MW413.46 g/mol
LogP3.16
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 8972293) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID8972293
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccc(C)o3)c2)cc1
InChIInChI=1S/C20H19N3O5S/c1-14-6-9-18(28-14)13-21-22-20(24)15-4-3-5-19(12-15)29(25,26)23-16-7-10-17(27-2)11-8-16/h3-13,23H,1-2H3,(H,22,24)/b21-13-
InChIKeyAGXGBYBSFFPERM-BKUYFWCQSA-N
XLogP3.16
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.16
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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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2361346
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 42991112
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6904564
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6909722
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2434148
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6904566
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
ethyl 4-[3-[(Z)-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 6151506
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6161520

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 8972293) is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccc(C)o3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is AGXGBYBSFFPERM-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-14-6-9-18(28-14)13-21-22-20(24)15-4-3-5-19(12-15)29(25,26)23-16-7-10-17(27-2)11-8-16/h3-13,23H,1-2H3,(H,22,24)/b21-13-.
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 413.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 8972293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).