(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide

C26H20N2O3S2 — CID 2165477

IUPAC(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(Oc2ccc(NC(=O)/C=C/c3cccs3)cc2)cc1
InChIInChI=1S/C26H20N2O3S2/c29-25(15-13-23-3-1-17-32-23)27-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)28-26(30)16-14-24-4-2-18-33-24/h1-18H,(H,27,29)(H,28,30)/b15-13+,16-14+
InChIKeyCJEBPJDFCCLNFM-WXUKJITCSA-N
MW472.59 g/mol
LogP6.91
Rot. Bonds8

About (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide

(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide (PubChem CID 2165477) has the molecular formula C26H20N2O3S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
PubChem CID2165477
Molecular FormulaC26H20N2O3S2
Molecular Weight472.59 g/mol
Exact Mass472.09
IUPAC Name(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(Oc2ccc(NC(=O)/C=C/c3cccs3)cc2)cc1
InChIInChI=1S/C26H20N2O3S2/c29-25(15-13-23-3-1-17-32-23)27-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)28-26(30)16-14-24-4-2-18-33-24/h1-18H,(H,27,29)(H,28,30)/b15-13+,16-14+
InChIKeyCJEBPJDFCCLNFM-WXUKJITCSA-N
XLogP6.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 4286207
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide (CID 2165477) is (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide is O=C(/C=C/c1cccs1)Nc1ccc(Oc2ccc(NC(=O)/C=C/c3cccs3)cc2)cc1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide?
The InChIKey is CJEBPJDFCCLNFM-WXUKJITCSA-N. The full InChI is InChI=1S/C26H20N2O3S2/c29-25(15-13-23-3-1-17-32-23)27-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)28-26(30)16-14-24-4-2-18-33-24/h1-18H,(H,27,29)(H,28,30)/b15-13+,16-14+.
What are the key properties of (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide has a molecular weight of 472.59 g/mol, XLogP of 6.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 2165477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).