(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide

C17H14N2O2S — CID 121196988

IUPAC(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C17H14N2O2S/c20-17(6-5-15-3-2-8-22-15)19-11-13-9-14(12-18-10-13)16-4-1-7-21-16/h1-10,12H,11H2,(H,19,20)/b6-5+
InChIKeyNUVOKJRMNRFRFT-AATRIKPKSA-N
MW310.38 g/mol
LogP3.73
Rot. Bonds5

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

(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 121196988) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID121196988
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C17H14N2O2S/c20-17(6-5-15-3-2-8-22-15)19-11-13-9-14(12-18-10-13)16-4-1-7-21-16/h1-10,12H,11H2,(H,19,20)/b6-5+
InChIKeyNUVOKJRMNRFRFT-AATRIKPKSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.73
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)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797297
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 119105079
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 9080643
4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 24698656
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
2-(1-adamantyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 121197067

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 121196988) is (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCc1cncc(-c2ccco2)c1.
What is the InChIKey of (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NUVOKJRMNRFRFT-AATRIKPKSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-17(6-5-15-3-2-8-22-15)19-11-13-9-14(12-18-10-13)16-4-1-7-21-16/h1-10,12H,11H2,(H,19,20)/b6-5+.
What are the key properties of (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 310.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 121196988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).