2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide

C14H22N2O2S — CID 81180529

IUPAC2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)c1ccc(C)cc1N
InChIInChI=1S/C14H22N2O2S/c1-4-5-11(3)16-14(17)9-19(18)13-7-6-10(2)8-12(13)15/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyFTKZBTVXGNUPNV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds6

About 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide

2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide (PubChem CID 81180529) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
PubChem CID81180529
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)c1ccc(C)cc1N
InChIInChI=1S/C14H22N2O2S/c1-4-5-11(3)16-14(17)9-19(18)13-7-6-10(2)8-12(13)15/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyFTKZBTVXGNUPNV-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
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-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 63791234
2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81183653
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64637809
N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
CID 61289452
2-(ethoxymethylsulfinyl)-5-methylaniline
CID 81181343
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide
CID 82833724

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide (CID 81180529) is 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CS(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide?
The InChIKey is FTKZBTVXGNUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-5-11(3)16-14(17)9-19(18)13-7-6-10(2)8-12(13)15/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide?
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide has a molecular weight of 282.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 81180529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).