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

C16H16N2O2S2 — CID 2180429

IUPAC(E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-15(7-5-13-3-1-11-21-13)17-9-10-18-16(20)8-6-14-4-2-12-22-14/h1-8,11-12H,9-10H2,(H,17,19)(H,18,20)/b7-5+,8-6+
InChIKeyRPYGNLHSZCUNLS-KQQUZDAGSA-N
MW332.45 g/mol
LogP2.77
Rot. Bonds7

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

(E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide (PubChem CID 2180429) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide
PubChem CID2180429
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name(E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-15(7-5-13-3-1-11-21-13)17-9-10-18-16(20)8-6-14-4-2-12-22-14/h1-8,11-12H,9-10H2,(H,17,19)(H,18,20)/b7-5+,8-6+
InChIKeyRPYGNLHSZCUNLS-KQQUZDAGSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide (CID 2180429) is (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide is O=C(/C=C/c1cccs1)NCCNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The InChIKey is RPYGNLHSZCUNLS-KQQUZDAGSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c19-15(7-5-13-3-1-11-21-13)17-9-10-18-16(20)8-6-14-4-2-12-22-14/h1-8,11-12H,9-10H2,(H,17,19)(H,18,20)/b7-5+,8-6+.
What are the key properties of (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide has a molecular weight of 332.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 2180429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).