4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide

C20H19N3O5S — CID 9215163

IUPAC4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C20H19N3O5S/c1-2-27-16-7-3-15(4-8-16)20(24)23-22-13-17-9-12-19(28-17)14-5-10-18(11-6-14)29(21,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,21,25,26)/b22-13-
InChIKeyAKZXKASWJCBTCX-XKZIYDEJSA-N
MW413.46 g/mol
LogP2.76
Rot. Bonds7

About 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide

4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 9215163) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID9215163
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C20H19N3O5S/c1-2-27-16-7-3-15(4-8-16)20(24)23-22-13-17-9-12-19(28-17)14-5-10-18(11-6-14)29(21,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,21,25,26)/b22-13-
InChIKeyAKZXKASWJCBTCX-XKZIYDEJSA-N
XLogP2.76
TPSA123.99 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 ≤ 52.76
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

2-chloro-5-[5-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 17246224
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate
CID 45109414
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
5-ethoxy-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126194311
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 6901877
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4-ethoxybenzamide
CID 9215198
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-propoxybenzamide
CID 133169510
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide (CID 9215163) is 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1.
What is the InChIKey of 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is AKZXKASWJCBTCX-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-2-27-16-7-3-15(4-8-16)20(24)23-22-13-17-9-12-19(28-17)14-5-10-18(11-6-14)29(21,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,21,25,26)/b22-13-.
What are the key properties of 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide?
4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 413.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 9215163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).