(E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one

C18H18N2O2S2 — CID 1293323

IUPAC(E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C18H18N2O2S2/c21-17(7-5-15-3-1-13-23-15)19-9-11-20(12-10-19)18(22)8-6-16-4-2-14-24-16/h1-8,13-14H,9-12H2/b7-5+,8-6+
InChIKeyQEWGHXFAWVSEED-KQQUZDAGSA-N
MW358.49 g/mol
LogP3.21
Rot. Bonds4

About (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one

(E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 1293323) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
PubChem CID1293323
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name(E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C18H18N2O2S2/c21-17(7-5-15-3-1-13-23-15)19-9-11-20(12-10-19)18(22)8-6-16-4-2-14-24-16/h1-8,13-14H,9-12H2/b7-5+,8-6+
InChIKeyQEWGHXFAWVSEED-KQQUZDAGSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one (CID 1293323) is (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCN(C(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is QEWGHXFAWVSEED-KQQUZDAGSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c21-17(7-5-15-3-1-13-23-15)19-9-11-20(12-10-19)18(22)8-6-16-4-2-14-24-16/h1-8,13-14H,9-12H2/b7-5+,8-6+.
What are the key properties of (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one?
(E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 358.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-1-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 1293323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).