N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C14H15NO2S — CID 123311433

IUPACN-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)C=Cc1ccoc1
InChIInChI=1S/C14H15NO2S/c1-2-15(10-13-4-3-9-18-13)14(16)6-5-12-7-8-17-11-12/h3-9,11H,2,10H2,1H3
InChIKeyQEYCDCCMKMGXKS-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.40
Rot. Bonds5

About N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 123311433) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID123311433
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)C=Cc1ccoc1
InChIInChI=1S/C14H15NO2S/c1-2-15(10-13-4-3-9-18-13)14(16)6-5-12-7-8-17-11-12/h3-9,11H,2,10H2,1H3
InChIKeyQEYCDCCMKMGXKS-UHFFFAOYSA-N
XLogP3.40
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122664040
(E)-N-(furan-3-ylmethyl)-3-thiophen-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 71804105
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516260
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516247
(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134014371
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
N-ethyl-N-(furan-3-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 67511764
(E)-3-(1-phenylpyrazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31839809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 123311433) is N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CCN(Cc1cccs1)C(=O)C=Cc1ccoc1.
What is the InChIKey of N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is QEYCDCCMKMGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-15(10-13-4-3-9-18-13)14(16)6-5-12-7-8-17-11-12/h3-9,11H,2,10H2,1H3.
What are the key properties of N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 261.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 123311433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).