(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide

C12H18N2O2S — CID 82994511

IUPAC(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOCCNCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-16-9-8-13-6-7-14-12(15)5-4-11-3-2-10-17-11/h2-5,10,13H,6-9H2,1H3,(H,14,15)/b5-4+
InChIKeyQZGXVXJXIZWTCM-SNAWJCMRSA-N
MW254.35 g/mol
LogP1.11
Rot. Bonds8

About (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 82994511) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID82994511
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOCCNCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-16-9-8-13-6-7-14-12(15)5-4-11-3-2-10-17-11/h2-5,10,13H,6-9H2,1H3,(H,14,15)/b5-4+
InChIKeyQZGXVXJXIZWTCM-SNAWJCMRSA-N
XLogP1.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.11
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)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 82994511) is (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide is COCCNCCNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is QZGXVXJXIZWTCM-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-16-9-8-13-6-7-14-12(15)5-4-11-3-2-10-17-11/h2-5,10,13H,6-9H2,1H3,(H,14,15)/b5-4+.
What are the key properties of (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 254.35 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 82994511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).