(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide

C13H13NOS2 — CID 17407233

IUPAC(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCc1cccs1
InChIInChI=1S/C13H13NOS2/c15-13(6-5-11-3-1-9-16-11)14-8-7-12-4-2-10-17-12/h1-6,9-10H,7-8H2,(H,14,15)/b6-5+
InChIKeyONYMEUZECNHMID-AATRIKPKSA-N
MW263.39 g/mol
LogP3.18
Rot. Bonds5

About (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide

(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide (PubChem CID 17407233) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
PubChem CID17407233
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCc1cccs1
InChIInChI=1S/C13H13NOS2/c15-13(6-5-11-3-1-9-16-11)14-8-7-12-4-2-10-17-12/h1-6,9-10H,7-8H2,(H,14,15)/b6-5+
InChIKeyONYMEUZECNHMID-AATRIKPKSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 46492102
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
N-[2-(1H-imidazol-5-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 77021910
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
CID 9483071
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540
(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 39931408
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 26189419
N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide (CID 17407233) is (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide is O=C(/C=C/c1cccs1)NCCc1cccs1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The InChIKey is ONYMEUZECNHMID-AATRIKPKSA-N. The full InChI is InChI=1S/C13H13NOS2/c15-13(6-5-11-3-1-9-16-11)14-8-7-12-4-2-10-17-12/h1-6,9-10H,7-8H2,(H,14,15)/b6-5+.
What are the key properties of (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide?
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide has a molecular weight of 263.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 17407233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).