N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide

C15H21NO2S — CID 103863837

IUPACN-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C15H21NO2S/c1-3-19-14-6-4-5-13(14)16-15(18)12-8-7-11(17)9-10(12)2/h7-9,13-14,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyBKVDKNRBWFCWTN-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.10
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide

N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide (PubChem CID 103863837) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
PubChem CID103863837
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C15H21NO2S/c1-3-19-14-6-4-5-13(14)16-15(18)12-8-7-11(17)9-10(12)2/h7-9,13-14,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyBKVDKNRBWFCWTN-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-methylbenzamide
CID 103863506
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide
CID 137334234
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103727551
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 71979777
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide (CID 103863837) is N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide is CCSC1CCCC1NC(=O)c1ccc(O)cc1C.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is BKVDKNRBWFCWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-19-14-6-4-5-13(14)16-15(18)12-8-7-11(17)9-10(12)2/h7-9,13-14,17H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide?
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 279.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103863837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).