N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

C14H14N2O2S — CID 687273

IUPACN-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C14H14N2O2S/c1-18-12-7-3-2-6-11(12)16-13(17)10-19-14-8-4-5-9-15-14/h2-9H,10H2,1H3,(H,16,17)
InChIKeyIJAJRTCSKWBFAB-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.82
Rot. Bonds5

About N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 687273) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID687273
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C14H14N2O2S/c1-18-12-7-3-2-6-11(12)16-13(17)10-19-14-8-4-5-9-15-14/h2-9H,10H2,1H3,(H,16,17)
InChIKeyIJAJRTCSKWBFAB-UHFFFAOYSA-N
XLogP2.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 687273) is N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is COc1ccccc1NC(=O)CSc1ccccn1.
What is the InChIKey of N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is IJAJRTCSKWBFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-12-7-3-2-6-11(12)16-13(17)10-19-14-8-4-5-9-15-14/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 687273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).