N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide

C25H21N3O7S — CID 6902432

IUPACN-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C(=O)c3ccco3)c3ccco3)cc2)cc1
InChIInChI=1S/C25H21N3O7S/c1-2-33-19-11-13-20(14-12-19)36(31,32)28-18-9-7-17(8-10-18)25(30)27-26-23(21-5-3-15-34-21)24(29)22-6-4-16-35-22/h3-16,28H,2H2,1H3,(H,27,30)/b26-23+
InChIKeyLOKPGWCJWPERFY-WNAAXNPUSA-N
MW507.52 g/mol
LogP4.09
Rot. Bonds10

About N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide

N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide (PubChem CID 6902432) has the molecular formula C25H21N3O7S and a molecular weight of 507.52 g/mol. Its IUPAC name is N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
PubChem CID6902432
Molecular FormulaC25H21N3O7S
Molecular Weight507.52 g/mol
Exact Mass507.11
IUPAC NameN-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C(=O)c3ccco3)c3ccco3)cc2)cc1
InChIInChI=1S/C25H21N3O7S/c1-2-33-19-11-13-20(14-12-19)36(31,32)28-18-9-7-17(8-10-18)25(30)27-26-23(21-5-3-15-34-21)24(29)22-6-4-16-35-22/h3-16,28H,2H2,1H3,(H,27,30)/b26-23+
InChIKeyLOKPGWCJWPERFY-WNAAXNPUSA-N
XLogP4.09
TPSA140.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
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CID 9419122
4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 55359716
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4607570
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 135982579
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6900782
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CID 6056611

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide (CID 6902432) is N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C(=O)c3ccco3)c3ccco3)cc2)cc1.
What is the InChIKey of N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is LOKPGWCJWPERFY-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H21N3O7S/c1-2-33-19-11-13-20(14-12-19)36(31,32)28-18-9-7-17(8-10-18)25(30)27-26-23(21-5-3-15-34-21)24(29)22-6-4-16-35-22/h3-16,28H,2H2,1H3,(H,27,30)/b26-23+.
What are the key properties of N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 507.52 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1,2-bis(furan-2-yl)-2-oxoethylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 6902432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).