2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide

C17H20N2OS — CID 79128368

IUPAC2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2cccc(N)c2C)cc1
InChIInChI=1S/C17H20N2OS/c1-3-13-7-9-14(10-8-13)19-17(20)11-21-16-6-4-5-15(18)12(16)2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyJMNWAIAEKNLULU-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.87
Rot. Bonds5

About 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide

2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 79128368) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID79128368
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2cccc(N)c2C)cc1
InChIInChI=1S/C17H20N2OS/c1-3-13-7-9-14(10-8-13)19-17(20)11-21-16-6-4-5-15(18)12(16)2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyJMNWAIAEKNLULU-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790919
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79128676
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
ethyl 4-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzoate
CID 5011495
2-(3-amino-2-methylphenyl)sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 79128909

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide (CID 79128368) is 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2cccc(N)c2C)cc1.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is JMNWAIAEKNLULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-13-7-9-14(10-8-13)19-17(20)11-21-16-6-4-5-15(18)12(16)2/h4-10H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide?
2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 79128368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).