2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

C15H18N2OS2 — CID 79140976

IUPAC2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(N)cc1SCC(=O)NC(C)c1cccs1
InChIInChI=1S/C15H18N2OS2/c1-10-5-6-12(16)8-14(10)20-9-15(18)17-11(2)13-4-3-7-19-13/h3-8,11H,9,16H2,1-2H3,(H,17,18)
InChIKeyOXUQWQMXLGOLNH-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.61
Rot. Bonds5

About 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 79140976) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID79140976
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(N)cc1SCC(=O)NC(C)c1cccs1
InChIInChI=1S/C15H18N2OS2/c1-10-5-6-12(16)8-14(10)20-9-15(18)17-11(2)13-4-3-7-19-13/h3-8,11H,9,16H2,1-2H3,(H,17,18)
InChIKeyOXUQWQMXLGOLNH-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 43302605
2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79141614
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40682887
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7646493
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40819742
2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43298965
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 43237373

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (CID 79140976) is 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is Cc1ccc(N)cc1SCC(=O)NC(C)c1cccs1.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is OXUQWQMXLGOLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10-5-6-12(16)8-14(10)20-9-15(18)17-11(2)13-4-3-7-19-13/h3-8,11H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 306.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 79140976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).