(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide

C17H15NO4S — CID 129355308

IUPAC(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC[C@@](O)(c1ccoc1)c1ccco1
InChIInChI=1S/C17H15NO4S/c19-16(6-5-14-3-2-10-23-14)18-12-17(20,13-7-9-21-11-13)15-4-1-8-22-15/h1-11,20H,12H2,(H,18,19)/b6-5+/t17-/m1/s1
InChIKeyXNNZYEHMJOUKQJ-FUTAKVPZSA-N
MW329.38 g/mol
LogP3.00
Rot. Bonds6

About (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 129355308) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID129355308
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC[C@@](O)(c1ccoc1)c1ccco1
InChIInChI=1S/C17H15NO4S/c19-16(6-5-14-3-2-10-23-14)18-12-17(20,13-7-9-21-11-13)15-4-1-8-22-15/h1-11,20H,12H2,(H,18,19)/b6-5+/t17-/m1/s1
InChIKeyXNNZYEHMJOUKQJ-FUTAKVPZSA-N
XLogP3.00
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide with MolForge

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Related Compounds

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
CID 171137083
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 119101056
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
5-chloro-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 129354558
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
CID 129354528
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875174
(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875177
2,2-dimethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid
CID 81370089
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 129354788

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide (CID 129355308) is (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC[C@@](O)(c1ccoc1)c1ccco1.
What is the InChIKey of (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is XNNZYEHMJOUKQJ-FUTAKVPZSA-N. The full InChI is InChI=1S/C17H15NO4S/c19-16(6-5-14-3-2-10-23-14)18-12-17(20,13-7-9-21-11-13)15-4-1-8-22-15/h1-11,20H,12H2,(H,18,19)/b6-5+/t17-/m1/s1.
What are the key properties of (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 329.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 129355308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).