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

C15H16N2O2S — CID 81181244

IUPAC2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
SMILESCc1ccc(S(=O)CC(=O)Nc2ccccc2)c(N)c1
InChIInChI=1S/C15H16N2O2S/c1-11-7-8-14(13(16)9-11)20(19)10-15(18)17-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyGJYDWUNCWGQYSW-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.32
Rot. Bonds4

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

2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide (PubChem CID 81181244) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
PubChem CID81181244
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
SMILESCc1ccc(S(=O)CC(=O)Nc2ccccc2)c(N)c1
InChIInChI=1S/C15H16N2O2S/c1-11-7-8-14(13(16)9-11)20(19)10-15(18)17-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyGJYDWUNCWGQYSW-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.32
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-phenylacetamide
CID 81192912
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
CID 81184637
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944
2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 81191461
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide (CID 81181244) is 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide is Cc1ccc(S(=O)CC(=O)Nc2ccccc2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide?
The InChIKey is GJYDWUNCWGQYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-7-8-14(13(16)9-11)20(19)10-15(18)17-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide?
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.32, 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-phenylacetamide is sourced from PubChem (CID 81181244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).