N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide

C14H19NO3S — CID 103892654

IUPACN-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
SMILESCCSC1CCCC1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO3S/c1-2-19-13-5-3-4-12(13)15-14(18)9-6-10(16)8-11(17)7-9/h6-8,12-13,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyWJDSKYFBOMPSNP-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.50
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide

N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide (PubChem CID 103892654) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
PubChem CID103892654
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
SMILESCCSC1CCCC1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO3S/c1-2-19-13-5-3-4-12(13)15-14(18)9-6-10(16)8-11(17)7-9/h6-8,12-13,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyWJDSKYFBOMPSNP-UHFFFAOYSA-N
XLogP2.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104939046
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
N-(2-ethylsulfanylcyclopentyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114122098
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide (CID 103892654) is N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide is CCSC1CCCC1NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide?
The InChIKey is WJDSKYFBOMPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-19-13-5-3-4-12(13)15-14(18)9-6-10(16)8-11(17)7-9/h6-8,12-13,16-17H,2-5H2,1H3,(H,15,18).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide?
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide has a molecular weight of 281.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 103892654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).