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

C15H16N2OS — CID 61117271

IUPAC3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H16N2OS/c1-10-11(6-5-7-12(10)16)15(18)17-13-8-3-4-9-14(13)19-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyZKZKYZVAHUXILJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.55
Rot. Bonds3

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

3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 61117271) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID61117271
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H16N2OS/c1-10-11(6-5-7-12(10)16)15(18)17-13-8-3-4-9-14(13)19-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyZKZKYZVAHUXILJ-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.55
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

3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392
3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 107872334
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
CID 97030400
3-amino-N-(2-butan-2-ylphenyl)-2-methylbenzamide
CID 83775668
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 81420850
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 61117271) is 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is ZKZKYZVAHUXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-11(6-5-7-12(10)16)15(18)17-13-8-3-4-9-14(13)19-2/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 272.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 61117271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).