N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

C15H16N2O2S — CID 767137

IUPACN-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C15H16N2O2S/c1-2-19-13-8-4-3-7-12(13)17-14(18)11-20-15-9-5-6-10-16-15/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyFTBXLHNYVXEDJR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.21
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 767137) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID767137
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C15H16N2O2S/c1-2-19-13-8-4-3-7-12(13)17-14(18)11-20-15-9-5-6-10-16-15/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyFTBXLHNYVXEDJR-UHFFFAOYSA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 2646355
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridylthio)acetamide
CID 2824712
Ethyl 2-(phenylsulfanyl)pyridin-3-yl ether
CID 817499
N-(3-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 659569
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 816069
2-[(2-ethoxyphenyl)(phenylsulfonyl)amino]-N-(2-(2-pyridylthio)ethyl)acetamide
CID 2275984
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 2341783
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 2342380
N-(2,5-diethoxyphenyl)-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3275371
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3466269
N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 3591780

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 767137) is N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is CCOc1ccccc1NC(=O)CSc1ccccn1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is FTBXLHNYVXEDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-19-13-8-4-3-7-12(13)17-14(18)11-20-15-9-5-6-10-16-15/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 288.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 767137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).