2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide

C14H22N2O2S — CID 81192225

IUPAC2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CS(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H22N2O2S/c1-5-14(3,4)16-13(17)9-19(18)12-7-6-11(15)8-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyJKTZGSSSFUMERP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide

2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 81192225) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID81192225
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CS(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H22N2O2S/c1-5-14(3,4)16-13(17)9-19(18)12-7-6-11(15)8-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyJKTZGSSSFUMERP-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81193087
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81175808
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
2-(4-amino-2-methylphenyl)sulfinyl-1-(4-methylpiperazin-1-yl)ethanone
CID 81192467
4-(2-fluoroethylsulfinyl)-3-methylaniline
CID 81192968
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
CID 81201988
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide (CID 81192225) is 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CS(=O)c1ccc(N)cc1C.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is JKTZGSSSFUMERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-14(3,4)16-13(17)9-19(18)12-7-6-11(15)8-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81192225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).