2-oxo-3-thiophen-3-ylchromene-8-carboxamide

C14H9NO3S — CID 178068714

IUPAC2-oxo-3-thiophen-3-ylchromene-8-carboxamide
SMILESNC(=O)c1cccc2cc(-c3ccsc3)c(=O)oc12
InChIInChI=1S/C14H9NO3S/c15-13(16)10-3-1-2-8-6-11(9-4-5-19-7-9)14(17)18-12(8)10/h1-7H,(H2,15,16)
InChIKeyNEETYNYDFQJMGA-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.62
Rot. Bonds2

About 2-oxo-3-thiophen-3-ylchromene-8-carboxamide

2-oxo-3-thiophen-3-ylchromene-8-carboxamide (PubChem CID 178068714) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-oxo-3-thiophen-3-ylchromene-8-carboxamide.

Molecular Properties

Compound Name2-oxo-3-thiophen-3-ylchromene-8-carboxamide
PubChem CID178068714
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name2-oxo-3-thiophen-3-ylchromene-8-carboxamide
SMILESNC(=O)c1cccc2cc(-c3ccsc3)c(=O)oc12
InChIInChI=1S/C14H9NO3S/c15-13(16)10-3-1-2-8-6-11(9-4-5-19-7-9)14(17)18-12(8)10/h1-7H,(H2,15,16)
InChIKeyNEETYNYDFQJMGA-UHFFFAOYSA-N
XLogP2.62
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-thiophen-3-ylchromene-8-carboxamide?
The IUPAC name of 2-oxo-3-thiophen-3-ylchromene-8-carboxamide (CID 178068714) is 2-oxo-3-thiophen-3-ylchromene-8-carboxamide.
What is the SMILES notation for 2-oxo-3-thiophen-3-ylchromene-8-carboxamide?
The canonical SMILES for 2-oxo-3-thiophen-3-ylchromene-8-carboxamide is NC(=O)c1cccc2cc(-c3ccsc3)c(=O)oc12.
What is the InChIKey of 2-oxo-3-thiophen-3-ylchromene-8-carboxamide?
The InChIKey is NEETYNYDFQJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c15-13(16)10-3-1-2-8-6-11(9-4-5-19-7-9)14(17)18-12(8)10/h1-7H,(H2,15,16).
What are the key properties of 2-oxo-3-thiophen-3-ylchromene-8-carboxamide?
2-oxo-3-thiophen-3-ylchromene-8-carboxamide has a molecular weight of 271.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-thiophen-3-ylchromene-8-carboxamide is sourced from PubChem (CID 178068714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).