(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide

C17H15NO3S2 — CID 124875177

IUPAC(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC[C@@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H15NO3S2/c19-16(4-3-13-5-7-21-10-13)18-12-17(20,14-6-9-22-11-14)15-2-1-8-23-15/h1-11,20H,12H2,(H,18,19)/b4-3+/t17-/m1/s1
InChIKeyGHLCYXRFGAAVNX-REMYHPOOSA-N
MW345.45 g/mol
LogP3.47
Rot. Bonds6

About (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide

(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide (PubChem CID 124875177) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
PubChem CID124875177
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC Name(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC[C@@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H15NO3S2/c19-16(4-3-13-5-7-21-10-13)18-12-17(20,14-6-9-22-11-14)15-2-1-8-23-15/h1-11,20H,12H2,(H,18,19)/b4-3+/t17-/m1/s1
InChIKeyGHLCYXRFGAAVNX-REMYHPOOSA-N
XLogP3.47
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875174
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-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124759456
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide (CID 124875177) is (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide is O=C(/C=C/c1ccoc1)NC[C@@](O)(c1ccsc1)c1cccs1.
What is the InChIKey of (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide?
The InChIKey is GHLCYXRFGAAVNX-REMYHPOOSA-N. The full InChI is InChI=1S/C17H15NO3S2/c19-16(4-3-13-5-7-21-10-13)18-12-17(20,14-6-9-22-11-14)15-2-1-8-23-15/h1-11,20H,12H2,(H,18,19)/b4-3+/t17-/m1/s1.
What are the key properties of (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide?
(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide has a molecular weight of 345.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide is sourced from PubChem (CID 124875177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).