3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide

C15H16N2O2S — CID 78985049

IUPAC3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccccc2SC)c1
InChIInChI=1S/C15H16N2O2S/c1-19-12-8-10(7-11(16)9-12)15(18)17-13-5-3-4-6-14(13)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyFPLPHJDCFLHZHI-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.25
Rot. Bonds4

About 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide

3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 78985049) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide
PubChem CID78985049
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccccc2SC)c1
InChIInChI=1S/C15H16N2O2S/c1-19-12-8-10(7-11(16)9-12)15(18)17-13-5-3-4-6-14(13)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyFPLPHJDCFLHZHI-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide (CID 78985049) is 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide is COc1cc(N)cc(C(=O)Nc2ccccc2SC)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is FPLPHJDCFLHZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-12-8-10(7-11(16)9-12)15(18)17-13-5-3-4-6-14(13)20-2/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide?
3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 288.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 78985049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).