(E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide

C26H18N2O4S — CID 71465887

IUPAC(E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C26H18N2O4S/c29-25(15-10-18-5-4-16-27-17-18)28-19-11-13-20(14-12-19)33(30,31)24-9-3-7-22-21-6-1-2-8-23(21)32-26(22)24/h1-17H,(H,28,29)/b15-10+
InChIKeyCDMNQBPWJNLSDZ-XNTDXEJSSA-N
MW454.51 g/mol
LogP5.47
Rot. Bonds5

About (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 71465887) has the molecular formula C26H18N2O4S and a molecular weight of 454.51 g/mol. Its IUPAC name is (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID71465887
Molecular FormulaC26H18N2O4S
Molecular Weight454.51 g/mol
Exact Mass454.10
IUPAC Name(E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C26H18N2O4S/c29-25(15-10-18-5-4-16-27-17-18)28-19-11-13-20(14-12-19)33(30,31)24-9-3-7-22-21-6-1-2-8-23(21)32-26(22)24/h1-17H,(H,28,29)/b15-10+
InChIKeyCDMNQBPWJNLSDZ-XNTDXEJSSA-N
XLogP5.47
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide (CID 71465887) is (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CDMNQBPWJNLSDZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C26H18N2O4S/c29-25(15-10-18-5-4-16-27-17-18)28-19-11-13-20(14-12-19)33(30,31)24-9-3-7-22-21-6-1-2-8-23(21)32-26(22)24/h1-17H,(H,28,29)/b15-10+.
What are the key properties of (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 454.51 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-dibenzofuran-4-ylsulfonylphenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 71465887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).