N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide

C17H25NO2S — CID 78786673

IUPACN-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide
SMILESCc1ccc(C)c(OCCSCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H25NO2S/c1-13-7-8-14(2)16(11-13)20-9-10-21-12-17(19)18-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyKDHHBZALZANOFT-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.47
Rot. Bonds7

About N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide

N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide (PubChem CID 78786673) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide
PubChem CID78786673
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide
SMILESCc1ccc(C)c(OCCSCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H25NO2S/c1-13-7-8-14(2)16(11-13)20-9-10-21-12-17(19)18-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyKDHHBZALZANOFT-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cyclohexyl-2-[[5-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6495812
N-cycloheptyl-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786968
cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678903
cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9408968
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide (CID 78786673) is N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide is Cc1ccc(C)c(OCCSCC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide?
The InChIKey is KDHHBZALZANOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13-7-8-14(2)16(11-13)20-9-10-21-12-17(19)18-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide?
N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 78786673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).