N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide

C13H16BrNOS — CID 80662433

IUPACN-(2-bromocyclopentyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1CCCC1Br
InChIInChI=1S/C13H16BrNOS/c1-17-12-8-3-2-5-9(12)13(16)15-11-7-4-6-10(11)14/h2-3,5,8,10-11H,4,6-7H2,1H3,(H,15,16)
InChIKeySOYXTWDEUUCVNI-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.45
Rot. Bonds3

About N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide

N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide (PubChem CID 80662433) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-methylsulfanylbenzamide
PubChem CID80662433
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC NameN-(2-bromocyclopentyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1CCCC1Br
InChIInChI=1S/C13H16BrNOS/c1-17-12-8-3-2-5-9(12)13(16)15-11-7-4-6-10(11)14/h2-3,5,8,10-11H,4,6-7H2,1H3,(H,15,16)
InChIKeySOYXTWDEUUCVNI-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
N-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylsulfanylbenzamide;hydrochloride
CID 172909803
N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide
CID 26798777
(3R,4S)-3-cyclopropyl-N,N-dimethyl-4-[(2-methylsulfanylbenzoyl)amino]pyrrolidine-1-carboxamide
CID 133123754
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide (CID 80662433) is N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide?
The InChIKey is SOYXTWDEUUCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-17-12-8-3-2-5-9(12)13(16)15-11-7-4-6-10(11)14/h2-3,5,8,10-11H,4,6-7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide?
N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide has a molecular weight of 314.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 80662433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).