2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide

C15H16N2O3S — CID 62499509

IUPAC2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)14-8-3-2-7-13(14)17-15(18)10-11-5-4-6-12(16)9-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyKIYHIQUGQRMYPJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide

2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 62499509) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide
PubChem CID62499509
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)14-8-3-2-7-13(14)17-15(18)10-11-5-4-6-12(16)9-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyKIYHIQUGQRMYPJ-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-(3-aminophenyl)-N-(2-propoxyphenyl)acetamide
CID 65350525
2-amino-N-[2-(2-methylsulfonylanilino)-2-oxoethyl]acetamide
CID 60849783
2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590864
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090
2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8564163
1-(3-aminophenyl)-4-methylsulfonylbutan-2-one
CID 116577269
3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid
CID 107265319
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
2-(3-aminophenyl)-N-(3,5-dichlorophenyl)acetamide
CID 28712382

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide (CID 62499509) is 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccccc1NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is KIYHIQUGQRMYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-21(19,20)14-8-3-2-7-13(14)17-15(18)10-11-5-4-6-12(16)9-11/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide?
2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 62499509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).