3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C13H13NO2S — CID 3354969

IUPAC3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2cccs2)o1
InChIInChI=1S/C13H13NO2S/c1-10-4-5-11(16-10)6-7-13(15)14-9-12-3-2-8-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyQCQDJZKFYBCOKK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.98
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 3354969) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID3354969
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2cccs2)o1
InChIInChI=1S/C13H13NO2S/c1-10-4-5-11(16-10)6-7-13(15)14-9-12-3-2-8-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyQCQDJZKFYBCOKK-UHFFFAOYSA-N
XLogP2.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.98
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

N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 17164912
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 4606451
(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 2675110
(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47162880
benzyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetate
CID 26878355
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26456915
3-(4-prop-2-enylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 135281357
6-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid
CID 43091711

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 3354969) is 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is Cc1ccc(C=CC(=O)NCc2cccs2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is QCQDJZKFYBCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-4-5-11(16-10)6-7-13(15)14-9-12-3-2-8-17-12/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 247.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 3354969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).