N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide

C17H15NO3S2 — CID 171130567

IUPACN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C17H15NO3S2/c19-16(6-5-14-3-1-9-22-14)18-12-17(20,13-7-8-21-11-13)15-4-2-10-23-15/h1-11,20H,12H2,(H,18,19)
InChIKeyWVDUEDSBEYVSHA-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 171130567) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID171130567
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C17H15NO3S2/c19-16(6-5-14-3-1-9-22-14)18-12-17(20,13-7-8-21-11-13)15-4-2-10-23-15/h1-11,20H,12H2,(H,18,19)
InChIKeyWVDUEDSBEYVSHA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide (CID 171130567) is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCC(O)(c1ccoc1)c1cccs1.
What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WVDUEDSBEYVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c19-16(6-5-14-3-1-9-22-14)18-12-17(20,13-7-8-21-11-13)15-4-2-10-23-15/h1-11,20H,12H2,(H,18,19).
What are the key properties of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide?
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-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 N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 171130567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).