N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide

C17H25NO3S — CID 60541932

IUPACN-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
SMILESCOc1ccc(OCCSC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-13(17(19)18-14-5-3-4-6-14)22-12-11-21-16-9-7-15(20-2)8-10-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,18,19)
InChIKeyVTNNTHPBTNOKNJ-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.25
Rot. Bonds8

About N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide

N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide (PubChem CID 60541932) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
PubChem CID60541932
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
SMILESCOc1ccc(OCCSC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-13(17(19)18-14-5-3-4-6-14)22-12-11-21-16-9-7-15(20-2)8-10-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,18,19)
InChIKeyVTNNTHPBTNOKNJ-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
CID 60542050
N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 60541898
N-cyclohexyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 134001401
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanamide
CID 60542182
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147278
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 55436710
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538154
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide (CID 60541932) is N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide is COc1ccc(OCCSC(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
The InChIKey is VTNNTHPBTNOKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-13(17(19)18-14-5-3-4-6-14)22-12-11-21-16-9-7-15(20-2)8-10-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide?
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide has a molecular weight of 323.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 60541932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).