(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide

C14H15NO2S — CID 71627874

IUPAC(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
SMILESC/C=C\C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H15NO2S/c1-2-5-14(16)15(10-12-6-3-8-17-12)11-13-7-4-9-18-13/h2-9H,10-11H2,1H3/b5-2-
InChIKeyXDCJKZDWJSGWFK-DJWKRKHSSA-N
MW261.35 g/mol
LogP3.45
Rot. Bonds5

About (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide

(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide (PubChem CID 71627874) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
PubChem CID71627874
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
SMILESC/C=C\C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H15NO2S/c1-2-5-14(16)15(10-12-6-3-8-17-12)11-13-7-4-9-18-13/h2-9H,10-11H2,1H3/b5-2-
InChIKeyXDCJKZDWJSGWFK-DJWKRKHSSA-N
XLogP3.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
(E)-N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 16617006
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 8850492
2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55125927
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide?
The IUPAC name of (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide (CID 71627874) is (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide.
What is the SMILES notation for (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide?
The canonical SMILES for (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide is C/C=C\C(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide?
The InChIKey is XDCJKZDWJSGWFK-DJWKRKHSSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-5-14(16)15(10-12-6-3-8-17-12)11-13-7-4-9-18-13/h2-9H,10-11H2,1H3/b5-2-.
What are the key properties of (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide?
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide has a molecular weight of 261.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 71627874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).