2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide

C11H16N2O2S — CID 81181058

IUPAC2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)c1ccc(C)cc1N
InChIInChI=1S/C11H16N2O2S/c1-3-13-11(14)7-16(15)10-5-4-8(2)6-9(10)12/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyCFRHUVTWILQSCR-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.82
Rot. Bonds4

About 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide

2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide (PubChem CID 81181058) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
PubChem CID81181058
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)c1ccc(C)cc1N
InChIInChI=1S/C11H16N2O2S/c1-3-13-11(14)7-16(15)10-5-4-8(2)6-9(10)12/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyCFRHUVTWILQSCR-UHFFFAOYSA-N
XLogP0.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.82
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-phenylacetamide
CID 81181244
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide
CID 81175579
2-(ethoxymethylsulfinyl)-5-methylaniline
CID 81181343
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81175808
3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
CID 62325813
2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81184227
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide (CID 81181058) is 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide is CCNC(=O)CS(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide?
The InChIKey is CFRHUVTWILQSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-13-11(14)7-16(15)10-5-4-8(2)6-9(10)12/h4-6H,3,7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide?
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide has a molecular weight of 240.33 g/mol, XLogP of 0.82, 4 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-ethylacetamide is sourced from PubChem (CID 81181058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).