2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide

C14H18BrNOS — CID 113249262

IUPAC2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
SMILESCCSC1CCCC1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNOS/c1-2-18-13-9-5-8-12(13)16-14(17)10-6-3-4-7-11(10)15/h3-4,6-7,12-13H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyHXOMPPBDSJYHAG-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.85
Rot. Bonds4

About 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide

2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide (PubChem CID 113249262) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
PubChem CID113249262
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC Name2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
SMILESCCSC1CCCC1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNOS/c1-2-18-13-9-5-8-12(13)16-14(17)10-6-3-4-7-11(10)15/h3-4,6-7,12-13H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyHXOMPPBDSJYHAG-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
3-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103708323
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
CID 114121676
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103727551
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide?
The IUPAC name of 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide (CID 113249262) is 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide is CCSC1CCCC1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide?
The InChIKey is HXOMPPBDSJYHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c1-2-18-13-9-5-8-12(13)16-14(17)10-6-3-4-7-11(10)15/h3-4,6-7,12-13H,2,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide?
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide has a molecular weight of 328.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 113249262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).