N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide

C15H16N2O2S — CID 61286825

IUPACN-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
SMILESCc1ccccc1S(=O)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H16N2O2S/c1-11-5-2-3-8-14(11)20(19)10-15(18)17-13-7-4-6-12(16)9-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyMJIOLLMDSDIPJP-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.32
Rot. Bonds4

About N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide

N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide (PubChem CID 61286825) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
PubChem CID61286825
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
SMILESCc1ccccc1S(=O)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H16N2O2S/c1-11-5-2-3-8-14(11)20(19)10-15(18)17-13-7-4-6-12(16)9-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyMJIOLLMDSDIPJP-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

N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
CID 81184637
N-(3-aminophenyl)-3-(2-bromophenyl)sulfinylpropanamide
CID 61288026
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
CID 61303387
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide (CID 61286825) is N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide is Cc1ccccc1S(=O)CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide?
The InChIKey is MJIOLLMDSDIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-5-2-3-8-14(11)20(19)10-15(18)17-13-7-4-6-12(16)9-13/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide?
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide 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 N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide is sourced from PubChem (CID 61286825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).