2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide

C14H17BrN2OS — CID 107982246

IUPAC2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(C(N)=S)CCCC2)c1Br
InChIInChI=1S/C14H17BrN2OS/c1-9-5-4-6-10(11(9)15)12(18)17-14(13(16)19)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyVESGDFDARRCLJD-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.09
Rot. Bonds3

About 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide

2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide (PubChem CID 107982246) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
PubChem CID107982246
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(C(N)=S)CCCC2)c1Br
InChIInChI=1S/C14H17BrN2OS/c1-9-5-4-6-10(11(9)15)12(18)17-14(13(16)19)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyVESGDFDARRCLJD-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide 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-3-methyl-N-(1-methylcyclopentyl)benzamide
CID 103853566
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
3-bromo-N-(1-carbamothioylcycloheptyl)-4-methylbenzamide
CID 81457319
N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936
N-(1-carbamothioylcyclopentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670382
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide (CID 107982246) is 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide is Cc1cccc(C(=O)NC2(C(N)=S)CCCC2)c1Br.
What is the InChIKey of 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide?
The InChIKey is VESGDFDARRCLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-9-5-4-6-10(11(9)15)12(18)17-14(13(16)19)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide?
2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide has a molecular weight of 341.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide is sourced from PubChem (CID 107982246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).