N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide

C15H21NO2S — CID 60541898

IUPACN-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
SMILESCc1cccc(OCCSC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C15H21NO2S/c1-11-4-3-5-14(10-11)18-8-9-19-12(2)15(17)16-13-6-7-13/h3-5,10,12-13H,6-9H2,1-2H3,(H,16,17)
InChIKeyPGSGFXWYYODVPY-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.77
Rot. Bonds7

About N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide

N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide (PubChem CID 60541898) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
PubChem CID60541898
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
SMILESCc1cccc(OCCSC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C15H21NO2S/c1-11-4-3-5-14(10-11)18-8-9-19-12(2)15(17)16-13-6-7-13/h3-5,10,12-13H,6-9H2,1-2H3,(H,16,17)
InChIKeyPGSGFXWYYODVPY-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.77
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

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 26633008
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
CID 60542050
N-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanamide
CID 60542182
N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 60541932
N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
CID 60654093
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84603220
N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
CID 99632956
(2R)-N-cyclopropyl-2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7818987
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide (CID 60541898) is N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide is Cc1cccc(OCCSC(C)C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide?
The InChIKey is PGSGFXWYYODVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-4-3-5-14(10-11)18-8-9-19-12(2)15(17)16-13-6-7-13/h3-5,10,12-13H,6-9H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide?
N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide has a molecular weight of 279.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 60541898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).