N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide

C16H23NO2S — CID 95972526

IUPACN-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide
SMILESCCS[C@H]1CCC[C@@H]1NC(=O)COc1cccc(C)c1
InChIInChI=1S/C16H23NO2S/c1-3-20-15-9-5-8-14(15)17-16(18)11-19-13-7-4-6-12(2)10-13/h4,6-7,10,14-15H,3,5,8-9,11H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyLQDNZHNDCGOHKN-GJZGRUSLSA-N
MW293.43 g/mol
LogP3.16
Rot. Bonds6

About N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide

N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide (PubChem CID 95972526) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide
PubChem CID95972526
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide
SMILESCCS[C@H]1CCC[C@@H]1NC(=O)COc1cccc(C)c1
InChIInChI=1S/C16H23NO2S/c1-3-20-15-9-5-8-14(15)17-16(18)11-19-13-7-4-6-12(2)10-13/h4,6-7,10,14-15H,3,5,8-9,11H2,1-2H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyLQDNZHNDCGOHKN-GJZGRUSLSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 6597337
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 11904739
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 11946465
2-(3-ethylphenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62366654
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide (CID 95972526) is N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide is CCS[C@H]1CCC[C@@H]1NC(=O)COc1cccc(C)c1.
What is the InChIKey of N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is LQDNZHNDCGOHKN-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-3-20-15-9-5-8-14(15)17-16(18)11-19-13-7-4-6-12(2)10-13/h4,6-7,10,14-15H,3,5,8-9,11H2,1-2H3,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide?
N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 293.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-ethylsulfanylcyclopentyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 95972526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).