2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide

C11H16N2O4S — CID 107075641

IUPAC2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H16N2O4S/c1-13(5-6-18(2,16)17)11(15)9-7-8(14)3-4-10(9)12/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyXMMHQWAUUNBTSB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.09
Rot. Bonds4

About 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide

2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 107075641) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID107075641
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H16N2O4S/c1-13(5-6-18(2,16)17)11(15)9-7-8(14)3-4-10(9)12/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyXMMHQWAUUNBTSB-UHFFFAOYSA-N
XLogP0.09
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 80707419
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79858160
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924767
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide (CID 107075641) is 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide is CN(CCS(C)(=O)=O)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is XMMHQWAUUNBTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-13(5-6-18(2,16)17)11(15)9-7-8(14)3-4-10(9)12/h3-4,7,14H,5-6,12H2,1-2H3.
What are the key properties of 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 272.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 107075641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).