2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide

C15H16N2O3S — CID 61111804

IUPAC2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2S(C)(=O)=O)c1N
InChIInChI=1S/C15H16N2O3S/c1-10-6-5-7-11(14(10)16)15(18)17-12-8-3-4-9-13(12)21(2,19)20/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyMYPMDWMSCPRSGE-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide

2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide (PubChem CID 61111804) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
PubChem CID61111804
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2S(C)(=O)=O)c1N
InChIInChI=1S/C15H16N2O3S/c1-10-6-5-7-11(14(10)16)15(18)17-12-8-3-4-9-13(12)21(2,19)20/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyMYPMDWMSCPRSGE-UHFFFAOYSA-N
XLogP2.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.23
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-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
CID 103983155
5-amino-2-methyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 61112376
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide (CID 61111804) is 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide is Cc1cccc(C(=O)Nc2ccccc2S(C)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide?
The InChIKey is MYPMDWMSCPRSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-6-5-7-11(14(10)16)15(18)17-12-8-3-4-9-13(12)21(2,19)20/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide?
2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide has a molecular weight of 304.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 61111804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).