N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide

C19H19FN2O2S — CID 69228980

IUPACN,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1cc2nc(-c3ccc(F)cc3)ccc2s1
InChIInChI=1S/C19H19FN2O2S/c1-3-22(4-2)18(23)12-24-19-11-16-17(25-19)10-9-15(21-16)13-5-7-14(20)8-6-13/h5-11H,3-4,12H2,1-2H3
InChIKeyBSZUIPWIRNDPBS-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.35
Rot. Bonds6

About N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide

N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide (PubChem CID 69228980) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide
PubChem CID69228980
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1cc2nc(-c3ccc(F)cc3)ccc2s1
InChIInChI=1S/C19H19FN2O2S/c1-3-22(4-2)18(23)12-24-19-11-16-17(25-19)10-9-15(21-16)13-5-7-14(20)8-6-13/h5-11H,3-4,12H2,1-2H3
InChIKeyBSZUIPWIRNDPBS-UHFFFAOYSA-N
XLogP4.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide (CID 69228980) is N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide is CCN(CC)C(=O)COc1cc2nc(-c3ccc(F)cc3)ccc2s1.
What is the InChIKey of N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide?
The InChIKey is BSZUIPWIRNDPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-3-22(4-2)18(23)12-24-19-11-16-17(25-19)10-9-15(21-16)13-5-7-14(20)8-6-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide?
N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide has a molecular weight of 358.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-2-yl]oxyacetamide is sourced from PubChem (CID 69228980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).