(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide

C13H19NO3S — CID 39958624

IUPAC(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
SMILESCOCCN(CCOC)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C13H19NO3S/c1-16-8-6-14(7-9-17-2)13(15)4-3-12-5-10-18-11-12/h3-5,10-11H,6-9H2,1-2H3/b4-3+
InChIKeyMRNURAGEBJEDRV-ONEGZZNKSA-N
MW269.37 g/mol
LogP1.88
Rot. Bonds8

About (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide

(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 39958624) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID39958624
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
SMILESCOCCN(CCOC)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C13H19NO3S/c1-16-8-6-14(7-9-17-2)13(15)4-3-12-5-10-18-11-12/h3-5,10-11H,6-9H2,1-2H3/b4-3+
InChIKeyMRNURAGEBJEDRV-ONEGZZNKSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-ethyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5737793
3-Allyl-5-(3-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 6342917
(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide
CID 162665088
(5E)-3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 2261082
methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
CID 75413211
3-(2-Methoxyethyl)-5-[(3-methyl-2-thienyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CID 2131161
3-[(E)-3-thiophen-3-ylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 16043687
3-Ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 1238552
3-(3-Methoxypropyl)-5-(3-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1797555
methyl [(5E)-2,4-dioxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]acetate
CID 2174569
Ethyl [2,4-dioxo-5-(3-thienylmethylene)-1,3-thiazolidin-3-yl]acetate
CID 2271894
(E)-N-(2-cyanopropyl)-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 51096900

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide (CID 39958624) is (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide is COCCN(CCOC)C(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is MRNURAGEBJEDRV-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-16-8-6-14(7-9-17-2)13(15)4-3-12-5-10-18-11-12/h3-5,10-11H,6-9H2,1-2H3/b4-3+.
What are the key properties of (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 269.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 39958624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).