2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide

C16H22ClNO2S — CID 60542050

IUPAC2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
SMILESCC(SCCOc1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H22ClNO2S/c1-12(16(19)18-14-6-2-3-7-14)21-10-9-20-15-8-4-5-13(17)11-15/h4-5,8,11-12,14H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyMBAZPKPZBNRAOF-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide

2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide (PubChem CID 60542050) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
PubChem CID60542050
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
SMILESCC(SCCOc1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H22ClNO2S/c1-12(16(19)18-14-6-2-3-7-14)21-10-9-20-15-8-4-5-13(17)11-15/h4-5,8,11-12,14H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyMBAZPKPZBNRAOF-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.90
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-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 60541898
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 60541932
(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
CID 94192884
N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100553664
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 26633008
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-[(3-chlorophenyl)methyl]-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100551970
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100511425
N-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanamide
CID 60542182
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide (CID 60542050) is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide is CC(SCCOc1cccc(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide?
The InChIKey is MBAZPKPZBNRAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c1-12(16(19)18-14-6-2-3-7-14)21-10-9-20-15-8-4-5-13(17)11-15/h4-5,8,11-12,14H,2-3,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide?
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide has a molecular weight of 327.88 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 60542050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).