(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

C14H14N2O3S — CID 9080643

IUPAC(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(=O)NCc1ccco1
InChIInChI=1S/C14H14N2O3S/c17-13(6-5-12-4-2-8-20-12)16-10-14(18)15-9-11-3-1-7-19-11/h1-8H,9-10H2,(H,15,18)(H,16,17)/b6-5+
InChIKeyMUTADZIGHICOQN-AATRIKPKSA-N
MW290.34 g/mol
LogP1.79
Rot. Bonds6

About (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 9080643) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID9080643
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(=O)NCc1ccco1
InChIInChI=1S/C14H14N2O3S/c17-13(6-5-12-4-2-8-20-12)16-10-14(18)15-9-11-3-1-7-19-11/h1-8H,9-10H2,(H,15,18)(H,16,17)/b6-5+
InChIKeyMUTADZIGHICOQN-AATRIKPKSA-N
XLogP1.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6234508
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
methyl 4-[(E)-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzoate
CID 34240809
(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]prop-2-enamide
CID 9080417
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]prop-2-enamide
CID 33319684
(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 17171135
(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797297
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
N-(furan-2-ylmethyl)-2-[(R)-thiophen-2-ylsulfinyl]acetamide
CID 97325274
N-(furan-2-ylmethyl)-2-thiophen-2-ylsulfinylacetamide
CID 75430243

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (CID 9080643) is (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC(=O)NCc1ccco1.
What is the InChIKey of (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MUTADZIGHICOQN-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(6-5-12-4-2-8-20-12)16-10-14(18)15-9-11-3-1-7-19-11/h1-8H,9-10H2,(H,15,18)(H,16,17)/b6-5+.
What are the key properties of (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 290.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 9080643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).