4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide

C14H14N2O2S — CID 2565676

IUPAC4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1cccnc1
InChIInChI=1S/C14H14N2O2S/c17-12(13-4-2-8-19-13)5-6-14(18)16-10-11-3-1-7-15-9-11/h1-4,7-9H,5-6,10H2,(H,16,18)
InChIKeyHUKVXBDNPDQNGZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.42
Rot. Bonds6

About 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide

4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide (PubChem CID 2565676) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
PubChem CID2565676
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1cccnc1
InChIInChI=1S/C14H14N2O2S/c17-12(13-4-2-8-19-13)5-6-14(18)16-10-11-3-1-7-15-9-11/h1-4,7-9H,5-6,10H2,(H,16,18)
InChIKeyHUKVXBDNPDQNGZ-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide (CID 2565676) is 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCc1cccnc1.
What is the InChIKey of 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is HUKVXBDNPDQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-12(13-4-2-8-19-13)5-6-14(18)16-10-11-3-1-7-15-9-11/h1-4,7-9H,5-6,10H2,(H,16,18).
What are the key properties of 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide?
4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 274.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2565676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).