2-hydroxy-N-(2-methylsulfinylpropyl)benzamide

C11H15NO3S — CID 115765209

IUPAC2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
SMILESCC(CNC(=O)c1ccccc1O)S(C)=O
InChIInChI=1S/C11H15NO3S/c1-8(16(2)15)7-12-11(14)9-5-3-4-6-10(9)13/h3-6,8,13H,7H2,1-2H3,(H,12,14)
InChIKeyQYAMBMRRRBMZAP-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.89
Rot. Bonds4

About 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide

2-hydroxy-N-(2-methylsulfinylpropyl)benzamide (PubChem CID 115765209) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
PubChem CID115765209
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
SMILESCC(CNC(=O)c1ccccc1O)S(C)=O
InChIInChI=1S/C11H15NO3S/c1-8(16(2)15)7-12-11(14)9-5-3-4-6-10(9)13/h3-6,8,13H,7H2,1-2H3,(H,12,14)
InChIKeyQYAMBMRRRBMZAP-UHFFFAOYSA-N
XLogP0.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
2-fluoro-N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)benzamide
CID 115764438
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide
CID 115976838
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide
CID 97241880
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
CID 139130185
6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115869324

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide (CID 115765209) is 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide is CC(CNC(=O)c1ccccc1O)S(C)=O.
What is the InChIKey of 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide?
The InChIKey is QYAMBMRRRBMZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(16(2)15)7-12-11(14)9-5-3-4-6-10(9)13/h3-6,8,13H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide?
2-hydroxy-N-(2-methylsulfinylpropyl)benzamide has a molecular weight of 241.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methylsulfinylpropyl)benzamide is sourced from PubChem (CID 115765209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).