N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide

C15H16N2OS — CID 79215761

IUPACN-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)c2ccccc2N)cc1
InChIInChI=1S/C15H16N2OS/c1-17(14-6-4-3-5-13(14)16)15(18)11-7-9-12(19-2)10-8-11/h3-10H,16H2,1-2H3
InChIKeyYYXAAFQUPBHAGK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.27
Rot. Bonds3

About N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide

N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide (PubChem CID 79215761) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide
PubChem CID79215761
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)c2ccccc2N)cc1
InChIInChI=1S/C15H16N2OS/c1-17(14-6-4-3-5-13(14)16)15(18)11-7-9-12(19-2)10-8-11/h3-10H,16H2,1-2H3
InChIKeyYYXAAFQUPBHAGK-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-(2-aminophenyl)-N-methylbenzamide
CID 143459430
N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 112726419
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 107736061
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide
CID 62831116
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
CID 107075078
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-fluorophenyl)-4-hydrazinyl-N-methylbenzamide
CID 62249119
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide
CID 61092127
4-amino-N-(3-chloro-2-fluorophenyl)-N-methylbenzamide
CID 126649358

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide (CID 79215761) is N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)c2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is YYXAAFQUPBHAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(14-6-4-3-5-13(14)16)15(18)11-7-9-12(19-2)10-8-11/h3-10H,16H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide?
N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 79215761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).