2-(furan-2-yl)-2-oxo-N-sulfanylacetamide

C6H5NO3S — CID 134444220

IUPAC2-(furan-2-yl)-2-oxo-N-sulfanylacetamide
SMILESO=C(NS)C(=O)c1ccco1
InChIInChI=1S/C6H5NO3S/c8-5(6(9)7-11)4-2-1-3-10-4/h1-3,11H,(H,7,9)
InChIKeyIRSGXUBNGLDDFG-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.42
Rot. Bonds2

About 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide

2-(furan-2-yl)-2-oxo-N-sulfanylacetamide (PubChem CID 134444220) has the molecular formula C6H5NO3S and a molecular weight of 171.18 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-2-oxo-N-sulfanylacetamide
PubChem CID134444220
Molecular FormulaC6H5NO3S
Molecular Weight171.18 g/mol
Exact Mass171.00
IUPAC Name2-(furan-2-yl)-2-oxo-N-sulfanylacetamide
SMILESO=C(NS)C(=O)c1ccco1
InChIInChI=1S/C6H5NO3S/c8-5(6(9)7-11)4-2-1-3-10-4/h1-3,11H,(H,7,9)
InChIKeyIRSGXUBNGLDDFG-UHFFFAOYSA-N
XLogP0.42
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
furan-2-yl(phosphanyl)methanone
CID 151549332
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
N-chlorofuran-2-carboxamide
CID 18537247
2-(furan-2-yl)-2-oxoacetamide;2-(furan-2-yl)-2-oxoacetic acid
CID 159366608
cesium furan-2-carboxylate
CID 140900702
sodium furan-2-carboxylate
CID 19205589

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide?
The IUPAC name of 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide (CID 134444220) is 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide.
What is the SMILES notation for 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide?
The canonical SMILES for 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide is O=C(NS)C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide?
The InChIKey is IRSGXUBNGLDDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S/c8-5(6(9)7-11)4-2-1-3-10-4/h1-3,11H,(H,7,9).
What are the key properties of 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide?
2-(furan-2-yl)-2-oxo-N-sulfanylacetamide has a molecular weight of 171.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-oxo-N-sulfanylacetamide is sourced from PubChem (CID 134444220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).