(E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide

C13H18N2O2S — CID 784837

IUPAC(E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCN1CCOCC1
InChIInChI=1S/C13H18N2O2S/c16-13(4-3-12-2-1-11-18-12)14-5-6-15-7-9-17-10-8-15/h1-4,11H,5-10H2,(H,14,16)/b4-3+
InChIKeyUXBNISSVUZWJSP-ONEGZZNKSA-N
MW266.37 g/mol
LogP1.21
Rot. Bonds5

About (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 784837) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID784837
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCN1CCOCC1
InChIInChI=1S/C13H18N2O2S/c16-13(4-3-12-2-1-11-18-12)14-5-6-15-7-9-17-10-8-15/h1-4,11H,5-10H2,(H,14,16)/b4-3+
InChIKeyUXBNISSVUZWJSP-ONEGZZNKSA-N
XLogP1.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.21
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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Related Compounds

(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2135555
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963
3-[2-(4-Morpholinyl)-2-oxoethyl]-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1232218
3-(2-Thienylmethylene)tetrahydro-2,5-pyrazinedione
CID 6517685
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
(2E)-2-(morpholin-4-ylcarbonyl)-3-(thiophen-2-yl)prop-2-enenitrile
CID 5714117
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
4-[3-(2-Thienyl)acryloyl]morpholine
CID 2167137
N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide
CID 652318
N-[2-(4-morpholinyl)-2-(2-thienyl)ethyl]propanamide
CID 2998106
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3245518

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide (CID 784837) is (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCCN1CCOCC1.
What is the InChIKey of (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is UXBNISSVUZWJSP-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-13(4-3-12-2-1-11-18-12)14-5-6-15-7-9-17-10-8-15/h1-4,11H,5-10H2,(H,14,16)/b4-3+.
What are the key properties of (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 266.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 784837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).