(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid

C23H17N3O6S — CID 6979120

IUPAC(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H17N3O6S/c27-21(28)13-10-16-8-11-19(12-9-16)33(30,31)25-26-22(17-5-2-1-3-6-17)24-20(23(26)29)15-18-7-4-14-32-18/h1-15,25H,(H,27,28)/b13-10+,20-15+
InChIKeyZPCKYZVGSXXRDJ-JEDUTTKESA-N
MW463.47 g/mol
LogP2.90
Rot. Bonds7

About (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid

(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 6979120) has the molecular formula C23H17N3O6S and a molecular weight of 463.47 g/mol. Its IUPAC name is (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID6979120
Molecular FormulaC23H17N3O6S
Molecular Weight463.47 g/mol
Exact Mass463.08
IUPAC Name(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H17N3O6S/c27-21(28)13-10-16-8-11-19(12-9-16)33(30,31)25-26-22(17-5-2-1-3-6-17)24-20(23(26)29)15-18-7-4-14-32-18/h1-15,25H,(H,27,28)/b13-10+,20-15+
InChIKeyZPCKYZVGSXXRDJ-JEDUTTKESA-N
XLogP2.90
TPSA129.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 1275634
N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 6979157
2-(4-ethoxyphenyl)-N-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methylpropanamide
CID 1274877
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 75539356
(5E)-3-[[4,6-bis(4-methoxy-2-nitroanilino)-1,3,5-triazin-2-yl]amino]-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one
CID 75539363
(3Z)-3-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
CID 135748227
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 5181707
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid (CID 6979120) is (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1.
What is the InChIKey of (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is ZPCKYZVGSXXRDJ-JEDUTTKESA-N. The full InChI is InChI=1S/C23H17N3O6S/c27-21(28)13-10-16-8-11-19(12-9-16)33(30,31)25-26-22(17-5-2-1-3-6-17)24-20(23(26)29)15-18-7-4-14-32-18/h1-15,25H,(H,27,28)/b13-10+,20-15+.
What are the key properties of (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid?
(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 463.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 6979120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).