N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide

C10H14N2O3S — CID 79676386

IUPACN-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide
SMILESCOCCONC(=O)CSc1ccncc1
InChIInChI=1S/C10H14N2O3S/c1-14-6-7-15-12-10(13)8-16-9-2-4-11-5-3-9/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyVSLMXZLEOMZZPF-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.87
Rot. Bonds7

About N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide

N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 79676386) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide
PubChem CID79676386
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide
SMILESCOCCONC(=O)CSc1ccncc1
InChIInChI=1S/C10H14N2O3S/c1-14-6-7-15-12-10(13)8-16-9-2-4-11-5-3-9/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyVSLMXZLEOMZZPF-UHFFFAOYSA-N
XLogP0.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79675642
5-methoxy-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 81077244
1-methoxy-3-pyridin-4-ylsulfanylpropan-2-one
CID 107508360
ethyl 2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 61343151
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
CID 79676474
(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 61131663
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 113258479
methyl 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoate
CID 43404633
tert-butyl (2R)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 81004061

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide (CID 79676386) is N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide is COCCONC(=O)CSc1ccncc1.
What is the InChIKey of N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is VSLMXZLEOMZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-14-6-7-15-12-10(13)8-16-9-2-4-11-5-3-9/h2-5H,6-8H2,1H3,(H,12,13).
What are the key properties of N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide?
N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 242.30 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 79676386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).