(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide

C14H15NO3S — CID 75408131

IUPAC(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
SMILESCC(O)(CNC(=O)/C=C/c1ccco1)c1ccsc1
InChIInChI=1S/C14H15NO3S/c1-14(17,11-6-8-19-9-11)10-15-13(16)5-4-12-3-2-7-18-12/h2-9,17H,10H2,1H3,(H,15,16)/b5-4+
InChIKeyVVJOZBBLEUWHHF-SNAWJCMRSA-N
MW277.35 g/mol
LogP2.38
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide (PubChem CID 75408131) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
PubChem CID75408131
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
SMILESCC(O)(CNC(=O)/C=C/c1ccco1)c1ccsc1
InChIInChI=1S/C14H15NO3S/c1-14(17,11-6-8-19-9-11)10-15-13(16)5-4-12-3-2-7-18-12/h2-9,17H,10H2,1H3,(H,15,16)/b5-4+
InChIKeyVVJOZBBLEUWHHF-SNAWJCMRSA-N
XLogP2.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,6-difluorophenyl)-N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 95784614
(Z)-3-(2,6-difluorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 97359554
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 111519791
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 71867266
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide
CID 71985062
(E)-N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)but-2-enediamide
CID 110007391

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide (CID 75408131) is (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide is CC(O)(CNC(=O)/C=C/c1ccco1)c1ccsc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide?
The InChIKey is VVJOZBBLEUWHHF-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-14(17,11-6-8-19-9-11)10-15-13(16)5-4-12-3-2-7-18-12/h2-9,17H,10H2,1H3,(H,15,16)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide has a molecular weight of 277.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide is sourced from PubChem (CID 75408131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).