(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide

C15H15NO2S — CID 33099029

IUPAC(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOCc1cccc(NC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C15H15NO2S/c1-18-11-12-4-2-5-13(10-12)16-15(17)8-7-14-6-3-9-19-14/h2-10H,11H2,1H3,(H,16,17)/b8-7+
InChIKeyUYLJFBBHSRFFGS-BQYQJAHWSA-N
MW273.36 g/mol
LogP3.55
Rot. Bonds5

About (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 33099029) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID33099029
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOCc1cccc(NC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C15H15NO2S/c1-18-11-12-4-2-5-13(10-12)16-15(17)8-7-14-6-3-9-19-14/h2-10H,11H2,1H3,(H,16,17)/b8-7+
InChIKeyUYLJFBBHSRFFGS-BQYQJAHWSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
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-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-(methoxymethyl)phenyl]prop-2-enamide
CID 33101063
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
N-[3-(methoxymethyl)phenyl]-2-thiophen-2-ylacetamide
CID 33287828
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 39231083
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 30859343
(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 61015357

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 33099029) is (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide is COCc1cccc(NC(=O)/C=C/c2cccs2)c1.
What is the InChIKey of (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is UYLJFBBHSRFFGS-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-11-12-4-2-5-13(10-12)16-15(17)8-7-14-6-3-9-19-14/h2-10H,11H2,1H3,(H,16,17)/b8-7+.
What are the key properties of (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 33099029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).