5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide

C13H15BrN2O2S — CID 107729610

IUPAC5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H15BrN2O2S/c14-7-4-5-11(17)9(6-7)13(18)16-10-3-1-2-8(10)12(15)19/h4-6,8,10,17H,1-3H2,(H2,15,19)(H,16,18)
InChIKeyXFESOIQYTUARJU-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.34
Rot. Bonds3

About 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide

5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide (PubChem CID 107729610) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
PubChem CID107729610
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H15BrN2O2S/c14-7-4-5-11(17)9(6-7)13(18)16-10-3-1-2-8(10)12(15)19/h4-6,8,10,17H,1-3H2,(H2,15,19)(H,16,18)
InChIKeyXFESOIQYTUARJU-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
CID 81446340
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107729418
2-bromo-N-(2-carbamothioylcyclopentyl)-6-fluorobenzamide
CID 114559262
2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107731367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide (CID 107729610) is 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide is NC(=S)C1CCCC1NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide?
The InChIKey is XFESOIQYTUARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c14-7-4-5-11(17)9(6-7)13(18)16-10-3-1-2-8(10)12(15)19/h4-6,8,10,17H,1-3H2,(H2,15,19)(H,16,18).
What are the key properties of 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide?
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide has a molecular weight of 343.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide is sourced from PubChem (CID 107729610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).