(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C14H14INO2S — CID 134014371

IUPAC(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccc(I)o1
InChIInChI=1S/C14H14INO2S/c1-2-16(10-12-4-3-9-19-12)14(17)8-6-11-5-7-13(15)18-11/h3-9H,2,10H2,1H3/b8-6+
InChIKeyYSXVPADKOWCRJF-SOFGYWHQSA-N
MW387.24 g/mol
LogP4.01
Rot. Bonds5

About (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 134014371) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID134014371
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC Name(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccc(I)o1
InChIInChI=1S/C14H14INO2S/c1-2-16(10-12-4-3-9-19-12)14(17)8-6-11-5-7-13(15)18-11/h3-9H,2,10H2,1H3/b8-6+
InChIKeyYSXVPADKOWCRJF-SOFGYWHQSA-N
XLogP4.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122664040
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516260
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516247
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
CID 76872023
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 134014371) is (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CCN(Cc1cccs1)C(=O)/C=C/c1ccc(I)o1.
What is the InChIKey of (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is YSXVPADKOWCRJF-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H14INO2S/c1-2-16(10-12-4-3-9-19-12)14(17)8-6-11-5-7-13(15)18-11/h3-9H,2,10H2,1H3/b8-6+.
What are the key properties of (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 387.24 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 134014371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).