2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide

C15H17N3O3S — CID 53174922

IUPAC2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NCCc2cccs2)nc1
InChIInChI=1S/C15H17N3O3S/c1-11(19)18-12-4-5-15(17-9-12)21-10-14(20)16-7-6-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyPIAWMFFDTOKXAP-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.84
Rot. Bonds7

About 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide

2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 53174922) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID53174922
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NCCc2cccs2)nc1
InChIInChI=1S/C15H17N3O3S/c1-11(19)18-12-4-5-15(17-9-12)21-10-14(20)16-7-6-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyPIAWMFFDTOKXAP-UHFFFAOYSA-N
XLogP1.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide (CID 53174922) is 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide is CC(=O)Nc1ccc(OCC(=O)NCCc2cccs2)nc1.
What is the InChIKey of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is PIAWMFFDTOKXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11(19)18-12-4-5-15(17-9-12)21-10-14(20)16-7-6-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-pyridinyl)oxy]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 53174922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).