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

C17H15NO4S — CID 171137083

IUPACN-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccsc1)NCC(O)(c1ccoc1)c1ccco1
InChIInChI=1S/C17H15NO4S/c19-16(4-3-13-6-9-23-11-13)18-12-17(20,14-5-8-21-10-14)15-2-1-7-22-15/h1-11,20H,12H2,(H,18,19)
InChIKeyXEGPRZDNOYWYKF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.00
Rot. Bonds6

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

N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 171137083) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID171137083
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccsc1)NCC(O)(c1ccoc1)c1ccco1
InChIInChI=1S/C17H15NO4S/c19-16(4-3-13-6-9-23-11-13)18-12-17(20,14-5-8-21-10-14)15-2-1-7-22-15/h1-11,20H,12H2,(H,18,19)
InChIKeyXEGPRZDNOYWYKF-UHFFFAOYSA-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'}

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Related Compounds

(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
CID 129355308
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
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 119101056
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
5-chloro-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 129354558
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide (CID 171137083) is N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide is O=C(C=Cc1ccsc1)NCC(O)(c1ccoc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is XEGPRZDNOYWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c19-16(4-3-13-6-9-23-11-13)18-12-17(20,14-5-8-21-10-14)15-2-1-7-22-15/h1-11,20H,12H2,(H,18,19).
What are the key properties of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide?
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-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 N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 171137083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).