(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide

C16H13NO3S — CID 121019250

IUPAC(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NCc1ccc(-c2ccsc2)o1
InChIInChI=1S/C16H13NO3S/c18-16(4-1-12-5-7-19-10-12)17-9-14-2-3-15(20-14)13-6-8-21-11-13/h1-8,10-11H,9H2,(H,17,18)/b4-1+
InChIKeyHCYWIBPSWBMDOD-DAFODLJHSA-N
MW299.35 g/mol
LogP3.93
Rot. Bonds5

About (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide

(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide (PubChem CID 121019250) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide
PubChem CID121019250
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NCc1ccc(-c2ccsc2)o1
InChIInChI=1S/C16H13NO3S/c18-16(4-1-12-5-7-19-10-12)17-9-14-2-3-15(20-14)13-6-8-21-11-13/h1-8,10-11H,9H2,(H,17,18)/b4-1+
InChIKeyHCYWIBPSWBMDOD-DAFODLJHSA-N
XLogP3.93
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.93
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

3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
CID 171130476
(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875177
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875174
1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea
CID 121019277
ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
CID 2246384
(5-thiophen-3-ylfuran-2-yl)methanol
CID 19744465
(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
CID 71807047
N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 121019236
3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
CID 126854811
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
CID 171137083
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
CID 99873619
(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71786750

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide (CID 121019250) is (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccoc1)NCc1ccc(-c2ccsc2)o1.
What is the InChIKey of (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide?
The InChIKey is HCYWIBPSWBMDOD-DAFODLJHSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-16(4-1-12-5-7-19-10-12)17-9-14-2-3-15(20-14)13-6-8-21-11-13/h1-8,10-11H,9H2,(H,17,18)/b4-1+.
What are the key properties of (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide?
(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 121019250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).