4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide

C17H14N2O2S — CID 10892285

IUPAC4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESC=CCc1ccccc1Oc1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C17H14N2O2S/c1-2-5-11-6-3-4-7-13(11)21-14-9-19-10-16-12(14)8-15(22-16)17(18)20/h2-4,6-10H,1,5H2,(H2,18,20)
InChIKeyBFEKSHZVCSSDIT-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.92
Rot. Bonds5

About 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide

4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10892285) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10892285
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESC=CCc1ccccc1Oc1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C17H14N2O2S/c1-2-5-11-6-3-4-7-13(11)21-14-9-19-10-16-12(14)8-15(22-16)17(18)20/h2-4,6-10H,1,5H2,(H2,18,20)
InChIKeyBFEKSHZVCSSDIT-UHFFFAOYSA-N
XLogP3.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide (CID 10892285) is 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide is C=CCc1ccccc1Oc1cncc2sc(C(N)=O)cc12.
What is the InChIKey of 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is BFEKSHZVCSSDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-2-5-11-6-3-4-7-13(11)21-14-9-19-10-16-12(14)8-15(22-16)17(18)20/h2-4,6-10H,1,5H2,(H2,18,20).
What are the key properties of 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enylphenoxy)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10892285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).