2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride

C13H21ClN2O4S — CID 119706515

IUPAC2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-19-8-7-14-10-13(16)15-9-11-3-5-12(6-4-11)20(2,17)18;/h3-6,14H,7-10H2,1-2H3,(H,15,16);1H
InChIKeyHIJWDUGLTCLWNF-UHFFFAOYSA-N
MW336.84 g/mol
LogP0.36
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride (PubChem CID 119706515) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
PubChem CID119706515
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-19-8-7-14-10-13(16)15-9-11-3-5-12(6-4-11)20(2,17)18;/h3-6,14H,7-10H2,1-2H3,(H,15,16);1H
InChIKeyHIJWDUGLTCLWNF-UHFFFAOYSA-N
XLogP0.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119690162
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide;hydrochloride
CID 119780941
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780942

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride (CID 119706515) is 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride is COCCNCC(=O)NCc1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is HIJWDUGLTCLWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S.ClH/c1-19-8-7-14-10-13(16)15-9-11-3-5-12(6-4-11)20(2,17)18;/h3-6,14H,7-10H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119706515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).