N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide

C15H15ClN2O2S — CID 63649159

IUPACN-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide
SMILESCSc1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H15ClN2O2S/c1-21-14-5-3-2-4-13(14)20-9-15(19)18-10-6-7-11(16)12(17)8-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyMBBZYSNYWMZUIA-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.66
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide

N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide (PubChem CID 63649159) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide
PubChem CID63649159
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide
SMILESCSc1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H15ClN2O2S/c1-21-14-5-3-2-4-13(14)20-9-15(19)18-10-6-7-11(16)12(17)8-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyMBBZYSNYWMZUIA-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)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

N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649158
N-(3-amino-4-chlorophenyl)-2-(2-iodophenoxy)acetamide
CID 43479671
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
2-(2-amino-4,5-dichlorophenoxy)-N-(4-fluorophenyl)acetamide
CID 107498887
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
N-(3-amino-4-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81313501

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide (CID 63649159) is N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide is CSc1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
The InChIKey is MBBZYSNYWMZUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-21-14-5-3-2-4-13(14)20-9-15(19)18-10-6-7-11(16)12(17)8-10/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide has a molecular weight of 322.82 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 63649159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).