(E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide

C20H22N2O2S2 — CID 1291935

IUPAC(E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C20H22N2O2S2/c23-19(7-5-17-3-1-13-25-17)21-15-16-9-11-22(12-10-16)20(24)8-6-18-4-2-14-26-18/h1-8,13-14,16H,9-12,15H2,(H,21,23)/b7-5+,8-6+
InChIKeyYLYHGCVFEXWGQG-KQQUZDAGSA-N
MW386.54 g/mol
LogP3.89
Rot. Bonds6

About (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide

(E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide (PubChem CID 1291935) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide
PubChem CID1291935
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name(E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C20H22N2O2S2/c23-19(7-5-17-3-1-13-25-17)21-15-16-9-11-22(12-10-16)20(24)8-6-18-4-2-14-26-18/h1-8,13-14,16H,9-12,15H2,(H,21,23)/b7-5+,8-6+
InChIKeyYLYHGCVFEXWGQG-KQQUZDAGSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
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-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide (CID 1291935) is (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide is O=C(/C=C/c1cccs1)NCC1CCN(C(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide?
The InChIKey is YLYHGCVFEXWGQG-KQQUZDAGSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c23-19(7-5-17-3-1-13-25-17)21-15-16-9-11-22(12-10-16)20(24)8-6-18-4-2-14-26-18/h1-8,13-14,16H,9-12,15H2,(H,21,23)/b7-5+,8-6+.
What are the key properties of (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide has a molecular weight of 386.54 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 1291935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).