2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride

C15H25ClN2O4S — CID 119704976

IUPAC2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-12(17(2)15(18)11-16-9-10-21-3)13-5-7-14(8-6-13)22(4,19)20;/h5-8,12,16H,9-11H2,1-4H3;1H
InChIKeyQBNSHBPYJHCTBN-UHFFFAOYSA-N
MW364.90 g/mol
LogP1.27
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119704976) has the molecular formula C15H25ClN2O4S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
PubChem CID119704976
Molecular FormulaC15H25ClN2O4S
Molecular Weight364.90 g/mol
Exact Mass364.12
IUPAC Name2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-12(17(2)15(18)11-16-9-10-21-3)13-5-7-14(8-6-13)22(4,19)20;/h5-8,12,16H,9-11H2,1-4H3;1H
InChIKeyQBNSHBPYJHCTBN-UHFFFAOYSA-N
XLogP1.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride
CID 119786618
N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282652
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119786374
2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 55551379
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119737229
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
2-methoxy-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]ethanamine
CID 55174053
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride (CID 119704976) is 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride is COCCNCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is QBNSHBPYJHCTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S.ClH/c1-12(17(2)15(18)11-16-9-10-21-3)13-5-7-14(8-6-13)22(4,19)20;/h5-8,12,16H,9-11H2,1-4H3;1H.
What are the key properties of 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119704976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).