2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide

C14H21ClN2O4S — CID 113153556

IUPAC2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(CCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-21-9-7-16-14(18)11-17(22(2,19)20)8-6-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyRPBIADPHTYGKGK-UHFFFAOYSA-N
MW348.85 g/mol
LogP0.91
Rot. Bonds9

About 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide

2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 113153556) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID113153556
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(CCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-21-9-7-16-14(18)11-17(22(2,19)20)8-6-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyRPBIADPHTYGKGK-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113153600
N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147731
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide (CID 113153556) is 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(CCc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is RPBIADPHTYGKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-21-9-7-16-14(18)11-17(22(2,19)20)8-6-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 348.85 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113153556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).