2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide

C17H25NO2S — CID 96517678

IUPAC2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide
SMILESCS[C@H]1CC[C@@H](N(C)C(=O)COc2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H25NO2S/c1-12-7-13(2)9-15(8-12)20-11-17(19)18(3)14-5-6-16(10-14)21-4/h7-9,14,16H,5-6,10-11H2,1-4H3/t14-,16+/m1/s1
InChIKeyAQVXEUVEFHTRBE-ZBFHGGJFSA-N
MW307.46 g/mol
LogP3.42
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide

2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide (PubChem CID 96517678) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide
PubChem CID96517678
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide
SMILESCS[C@H]1CC[C@@H](N(C)C(=O)COc2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H25NO2S/c1-12-7-13(2)9-15(8-12)20-11-17(19)18(3)14-5-6-16(10-14)21-4/h7-9,14,16H,5-6,10-11H2,1-4H3/t14-,16+/m1/s1
InChIKeyAQVXEUVEFHTRBE-ZBFHGGJFSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 99106839
3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
CID 96517663
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
2-(3,5-dimethylphenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763604

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide (CID 96517678) is 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide is CS[C@H]1CC[C@@H](N(C)C(=O)COc2cc(C)cc(C)c2)C1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide?
The InChIKey is AQVXEUVEFHTRBE-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-7-13(2)9-15(8-12)20-11-17(19)18(3)14-5-6-16(10-14)21-4/h7-9,14,16H,5-6,10-11H2,1-4H3/t14-,16+/m1/s1.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide?
2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide is sourced from PubChem (CID 96517678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).