2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride

C11H19Cl2N3O4S — CID 119854984

IUPAC2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(S(C)(=O)=O)nc1.Cl.Cl
InChIInChI=1S/C11H17N3O4S.2ClH/c1-18-6-5-12-8-10(15)14-9-3-4-11(13-7-9)19(2,16)17;;/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15);2*1H
InChIKeyOTISRAJSMODKIM-UHFFFAOYSA-N
MW360.26 g/mol
LogP0.50
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride (PubChem CID 119854984) has the molecular formula C11H19Cl2N3O4S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
PubChem CID119854984
Molecular FormulaC11H19Cl2N3O4S
Molecular Weight360.26 g/mol
Exact Mass359.05
IUPAC Name2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(S(C)(=O)=O)nc1.Cl.Cl
InChIInChI=1S/C11H17N3O4S.2ClH/c1-18-6-5-12-8-10(15)14-9-3-4-11(13-7-9)19(2,16)17;;/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15);2*1H
InChIKeyOTISRAJSMODKIM-UHFFFAOYSA-N
XLogP0.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340978
N-(6-anilino-3-pyridinyl)-2-(2-methoxyethylamino)acetamide
CID 119870649
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329211
2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119754250
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride (CID 119854984) is 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride is COCCNCC(=O)Nc1ccc(S(C)(=O)=O)nc1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride?
The InChIKey is OTISRAJSMODKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S.2ClH/c1-18-6-5-12-8-10(15)14-9-3-4-11(13-7-9)19(2,16)17;;/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride has a molecular weight of 360.26 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride is sourced from PubChem (CID 119854984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).