N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide

C15H16N2O2S — CID 63649158

IUPACN-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
SMILESCSc1ccccc1OCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2O2S/c1-20-14-5-3-2-4-13(14)19-10-15(18)17-12-8-6-11(16)7-9-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyHMFTVLNNJBOPRM-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.01
Rot. Bonds5

About N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide

N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide (PubChem CID 63649158) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
PubChem CID63649158
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
SMILESCSc1ccccc1OCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2O2S/c1-20-14-5-3-2-4-13(14)19-10-15(18)17-12-8-6-11(16)7-9-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyHMFTVLNNJBOPRM-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649159
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669396
N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78776642
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306
1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
CID 107508154
N-(4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878179

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide (CID 63649158) is N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide is CSc1ccccc1OCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
The InChIKey is HMFTVLNNJBOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-20-14-5-3-2-4-13(14)19-10-15(18)17-12-8-6-11(16)7-9-12/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide?
N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 63649158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).