4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide

C11H14BrNO2S — CID 103873373

IUPAC4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H14BrNO2S/c1-7(6-16-2)13-11(15)8-3-4-9(12)10(14)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyDILZHRMHRCNHQK-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.64
Rot. Bonds4

About 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide

4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 103873373) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID103873373
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H14BrNO2S/c1-7(6-16-2)13-11(15)8-3-4-9(12)10(14)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyDILZHRMHRCNHQK-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 97239157
4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
CID 103872840
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104939035
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
(2R)-2-[(4-bromo-3-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 114103357
2-[(4-bromo-3-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 114103388
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103990835
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 103873373) is 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)NC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is DILZHRMHRCNHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-7(6-16-2)13-11(15)8-3-4-9(12)10(14)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 304.21 g/mol, XLogP of 2.64, 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-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 103873373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).