N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide

C16H23NO2S — CID 71979764

IUPACN-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(COC)cc1
InChIInChI=1S/C16H23NO2S/c1-3-20-15-6-4-5-14(15)17-16(18)13-9-7-12(8-10-13)11-19-2/h7-10,14-15H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyZXQOQYSLNOHGPX-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.24
Rot. Bonds6

About N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide

N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide (PubChem CID 71979764) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
PubChem CID71979764
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(COC)cc1
InChIInChI=1S/C16H23NO2S/c1-3-20-15-6-4-5-14(15)17-16(18)13-9-7-12(8-10-13)11-19-2/h7-10,14-15H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyZXQOQYSLNOHGPX-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-[(1S,2S)-2-methylsulfanylcyclohexyl]benzamide
CID 97215389
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
CID 110127912
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide (CID 71979764) is N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide is CCSC1CCCC1NC(=O)c1ccc(COC)cc1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide?
The InChIKey is ZXQOQYSLNOHGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-3-20-15-6-4-5-14(15)17-16(18)13-9-7-12(8-10-13)11-19-2/h7-10,14-15H,3-6,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide?
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide has a molecular weight of 293.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 71979764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).