[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate

C13H11ClN2O3S — CID 2547969

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN2O3S/c14-10-1-2-11(15-6-10)16-12(17)7-19-13(18)5-9-3-4-20-8-9/h1-4,6,8H,5,7H2,(H,15,16,17)
InChIKeyOMFKNTRVGSGCIS-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.52
Rot. Bonds5

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2547969) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2547969
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN2O3S/c14-10-1-2-11(15-6-10)16-12(17)7-19-13(18)5-9-3-4-20-8-9/h1-4,6,8H,5,7H2,(H,15,16,17)
InChIKeyOMFKNTRVGSGCIS-UHFFFAOYSA-N
XLogP2.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2547969) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is OMFKNTRVGSGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c14-10-1-2-11(15-6-10)16-12(17)7-19-13(18)5-9-3-4-20-8-9/h1-4,6,8H,5,7H2,(H,15,16,17).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 310.76 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2547969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).