3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide

C17H15NO2S2 — CID 171137145

IUPAC3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCc1ccc(-c2ccsc2)s1
InChIInChI=1S/C17H15NO2S2/c19-17(6-3-14-2-1-10-20-14)18-9-7-15-4-5-16(22-15)13-8-11-21-12-13/h1-6,8,10-12H,7,9H2,(H,18,19)
InChIKeyINZWQILGJZJTEP-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.44
Rot. Bonds6

About 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide (PubChem CID 171137145) has the molecular formula C17H15NO2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide
PubChem CID171137145
Molecular FormulaC17H15NO2S2
Molecular Weight329.45 g/mol
Exact Mass329.05
IUPAC Name3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCc1ccc(-c2ccsc2)s1
InChIInChI=1S/C17H15NO2S2/c19-17(6-3-14-2-1-10-20-14)18-9-7-15-4-5-16(22-15)13-8-11-21-12-13/h1-6,8,10-12H,7,9H2,(H,18,19)
InChIKeyINZWQILGJZJTEP-UHFFFAOYSA-N
XLogP4.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
3-(furan-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
CID 71962615
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
5-methyl-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 119102116

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide (CID 171137145) is 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide is O=C(C=Cc1ccco1)NCCc1ccc(-c2ccsc2)s1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide?
The InChIKey is INZWQILGJZJTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S2/c19-17(6-3-14-2-1-10-20-14)18-9-7-15-4-5-16(22-15)13-8-11-21-12-13/h1-6,8,10-12H,7,9H2,(H,18,19).
What are the key properties of 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide has a molecular weight of 329.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-(5-thiophen-3-ylthiophen-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 171137145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).