2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide

C15H16N2O2S — CID 81420850

IUPAC2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccccc1SC
InChIInChI=1S/C15H16N2O2S/c1-19-12-8-5-6-10(16)14(12)15(18)17-11-7-3-4-9-13(11)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyBOHRFUKZZHEOJO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide

2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 81420850) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
PubChem CID81420850
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccccc1SC
InChIInChI=1S/C15H16N2O2S/c1-19-12-8-5-6-10(16)14(12)15(18)17-11-7-3-4-9-13(11)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyBOHRFUKZZHEOJO-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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Related Compounds

2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
2-amino-6-bromo-N-(2-methoxyphenyl)benzamide
CID 118386970
2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide
CID 155516174
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
4-[3-amino-2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfanylbenzoic acid
CID 71811804
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 78768134
2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;sulfuric acid
CID 118387004

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide (CID 81420850) is 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide is COc1cccc(N)c1C(=O)Nc1ccccc1SC.
What is the InChIKey of 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is BOHRFUKZZHEOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-12-8-5-6-10(16)14(12)15(18)17-11-7-3-4-9-13(11)20-2/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide?
2-amino-6-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 2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 81420850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).