2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide

C19H23ClN2O5S — CID 30130659

IUPAC2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-26-12-11-21-19(23)14-27-17-9-7-16(8-10-17)22(28(2,24)25)13-15-5-3-4-6-18(15)20/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyOXOYLGYRZWRGGH-UHFFFAOYSA-N
MW426.92 g/mol
LogP2.45
Rot. Bonds10

About 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide

2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 30130659) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID30130659
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-26-12-11-21-19(23)14-27-17-9-7-16(8-10-17)22(28(2,24)25)13-15-5-3-4-6-18(15)20/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyOXOYLGYRZWRGGH-UHFFFAOYSA-N
XLogP2.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130619
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 30130962
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
CID 30130647
N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130872
N,N-dibenzyl-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888618
N-butyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131067
ethyl 4-[[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate
CID 30130866
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30130967
N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131058
N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide (CID 30130659) is 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is OXOYLGYRZWRGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-26-12-11-21-19(23)14-27-17-9-7-16(8-10-17)22(28(2,24)25)13-15-5-3-4-6-18(15)20/h3-10H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide?
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 426.92 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 30130659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).