3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide

C14H18BrNOS — CID 103708323

IUPAC3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCCC1NC(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H18BrNOS/c1-9-10(5-3-6-11(9)15)14(17)16-12-7-4-8-13(12)18-2/h3,5-6,12-13H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyNABYIQNWHVKRAY-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.77
Rot. Bonds3

About 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide

3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide (PubChem CID 103708323) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
PubChem CID103708323
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC Name3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCCC1NC(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H18BrNOS/c1-9-10(5-3-6-11(9)15)14(17)16-12-7-4-8-13(12)18-2/h3,5-6,12-13H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyNABYIQNWHVKRAY-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103855203
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6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103889979
2-hydroxy-N-(2-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103800337
3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767177
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-[(2-methylsulfanylcyclohexyl)carbamoyl]benzoic acid
CID 103866458
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide
CID 79878594
2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
CID 106812109
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide (CID 103708323) is 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide is CSC1CCCC1NC(=O)c1cccc(Br)c1C.
What is the InChIKey of 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide?
The InChIKey is NABYIQNWHVKRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c1-9-10(5-3-6-11(9)15)14(17)16-12-7-4-8-13(12)18-2/h3,5-6,12-13H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide?
3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide has a molecular weight of 328.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 103708323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).