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

C13H10N2O2S — CID 787977

IUPAC(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)NCc1cccs1
InChIInChI=1S/C13H10N2O2S/c14-8-10(7-11-3-1-5-17-11)13(16)15-9-12-4-2-6-18-12/h1-7H,9H2,(H,15,16)/b10-7+
InChIKeyKKPUUBABTDVLCY-JXMROGBWSA-N
MW258.30 g/mol
LogP2.56
Rot. Bonds4

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

(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 787977) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID787977
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)NCc1cccs1
InChIInChI=1S/C13H10N2O2S/c14-8-10(7-11-3-1-5-17-11)13(16)15-9-12-4-2-6-18-12/h1-7H,9H2,(H,15,16)/b10-7+
InChIKeyKKPUUBABTDVLCY-JXMROGBWSA-N
XLogP2.56
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.56
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-cyano-3-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 787972
(E)-2-cyano-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 40527924
(E)-2-cyano-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 126201597
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 94851103
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
CID 111447916
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 94851061
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439
(Z)-2-cyano-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)prop-2-enamide
CID 132969320
2-cyano-3-(furan-2-yl)-N-[6-[[3-(furan-2-yl)-2-isocyanoprop-2-enoyl]amino]hexyl]prop-2-enamide
CID 72660889
(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide
CID 95986991
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 787977) is (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is N#C/C(=C\c1ccco1)C(=O)NCc1cccs1.
What is the InChIKey of (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is KKPUUBABTDVLCY-JXMROGBWSA-N. The full InChI is InChI=1S/C13H10N2O2S/c14-8-10(7-11-3-1-5-17-11)13(16)15-9-12-4-2-6-18-12/h1-7H,9H2,(H,15,16)/b10-7+.
What are the key properties of (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 258.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 787977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).