2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide

C13H20N2OS — CID 79140774

IUPAC2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
SMILESCc1ccc(N)cc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2OS/c1-9-5-6-10(14)7-11(9)17-8-12(16)15-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyHVTUPKHPCRJFNN-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.58
Rot. Bonds3

About 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide

2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide (PubChem CID 79140774) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
PubChem CID79140774
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
SMILESCc1ccc(N)cc1SCC(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2OS/c1-9-5-6-10(14)7-11(9)17-8-12(16)15-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyHVTUPKHPCRJFNN-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.58
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-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
2-(5-amino-2-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79141432
2-(2-amino-5-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79142290
2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79141614
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
2-(5-amino-2-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 79140976
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
CID 79141528
2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390415
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629846
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide
CID 79631389

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide (CID 79140774) is 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide is Cc1ccc(N)cc1SCC(=O)NC(C)(C)C.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide?
The InChIKey is HVTUPKHPCRJFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-5-6-10(14)7-11(9)17-8-12(16)15-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide?
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide has a molecular weight of 252.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide is sourced from PubChem (CID 79140774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).