2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide

C14H12N2O2S — CID 2876439

IUPAC2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1C=C(C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H12N2O2S/c1-10-4-6-19-13(10)7-11(8-15)14(17)16-9-12-3-2-5-18-12/h2-7H,9H2,1H3,(H,16,17)
InChIKeySRNCUIYFSWLQBB-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.87
Rot. Bonds4

About 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide

2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 2876439) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID2876439
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1C=C(C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H12N2O2S/c1-10-4-6-19-13(10)7-11(8-15)14(17)16-9-12-3-2-5-18-12/h2-7H,9H2,1H3,(H,16,17)
InChIKeySRNCUIYFSWLQBB-UHFFFAOYSA-N
XLogP2.87
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(furan-2-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 9335518
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 2132194
(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 19183490
2-cyano-N-(furan-2-ylmethyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enamide
CID 3138086
(Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 789351
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4963256
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
2-cyano-3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3976690
(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]acetamide
CID 2419427
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
CID 108863363
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide
CID 146025232

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 2876439) is 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is Cc1ccsc1C=C(C#N)C(=O)NCc1ccco1.
What is the InChIKey of 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is SRNCUIYFSWLQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-10-4-6-19-13(10)7-11(8-15)14(17)16-9-12-3-2-5-18-12/h2-7H,9H2,1H3,(H,16,17).
What are the key properties of 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 272.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 2876439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).