3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide

C17H15NO4S — CID 171130476

IUPAC3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccoc1)NCC(O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C17H15NO4S/c19-14(9-18-17(20)4-1-12-5-7-21-10-12)16-3-2-15(22-16)13-6-8-23-11-13/h1-8,10-11,14,19H,9H2,(H,18,20)
InChIKeyXGLDOHQOJALKBL-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.46
Rot. Bonds6

About 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide

3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide (PubChem CID 171130476) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
PubChem CID171130476
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccoc1)NCC(O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C17H15NO4S/c19-14(9-18-17(20)4-1-12-5-7-21-10-12)16-3-2-15(22-16)13-6-8-23-11-13/h1-8,10-11,14,19H,9H2,(H,18,20)
InChIKeyXGLDOHQOJALKBL-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide
CID 121019250
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
CID 99873619
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 122244233
(E)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
CID 91630864
N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
CID 129356603
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]prop-2-enamide
CID 97416926
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 129357446
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
CID 72717738
N'-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356579
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 129355868

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide (CID 171130476) is 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide is O=C(C=Cc1ccoc1)NCC(O)c1ccc(-c2ccsc2)o1.
What is the InChIKey of 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide?
The InChIKey is XGLDOHQOJALKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c19-14(9-18-17(20)4-1-12-5-7-21-10-12)16-3-2-15(22-16)13-6-8-23-11-13/h1-8,10-11,14,19H,9H2,(H,18,20).
What are the key properties of 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide?
3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide has a molecular weight of 329.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 171130476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).