4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide

C12H16BrNO2S — CID 113342883

IUPAC4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H16BrNO2S/c1-12(2,17-3)7-14-11(16)8-4-5-9(13)10(15)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyHSJYKUMXGGORDM-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.03
Rot. Bonds4

About 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide

4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide (PubChem CID 113342883) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
PubChem CID113342883
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H16BrNO2S/c1-12(2,17-3)7-14-11(16)8-4-5-9(13)10(15)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyHSJYKUMXGGORDM-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113342863
3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115665361
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358
4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103873373
2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
CID 106854343
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate
CID 103830570
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide (CID 113342883) is 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide is CSC(C)(C)CNC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The InChIKey is HSJYKUMXGGORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-12(2,17-3)7-14-11(16)8-4-5-9(13)10(15)6-8/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide has a molecular weight of 318.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 113342883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).