N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide

C14H16N2OS2 — CID 67739783

IUPACN-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide
SMILESCC(=O)N(CCCSc1ccncc1)c1cccs1
InChIInChI=1S/C14H16N2OS2/c1-12(17)16(14-4-2-10-19-14)9-3-11-18-13-5-7-15-8-6-13/h2,4-8,10H,3,9,11H2,1H3
InChIKeyGOHXSZFUJQTYKF-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.68
Rot. Bonds6

About N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide

N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide (PubChem CID 67739783) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide
PubChem CID67739783
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide
SMILESCC(=O)N(CCCSc1ccncc1)c1cccs1
InChIInChI=1S/C14H16N2OS2/c1-12(17)16(14-4-2-10-19-14)9-3-11-18-13-5-7-15-8-6-13/h2,4-8,10H,3,9,11H2,1H3
InChIKeyGOHXSZFUJQTYKF-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide?
The IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide (CID 67739783) is N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide is CC(=O)N(CCCSc1ccncc1)c1cccs1.
What is the InChIKey of N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide?
The InChIKey is GOHXSZFUJQTYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-12(17)16(14-4-2-10-19-14)9-3-11-18-13-5-7-15-8-6-13/h2,4-8,10H,3,9,11H2,1H3.
What are the key properties of N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide?
N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide has a molecular weight of 292.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide is sourced from PubChem (CID 67739783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).