N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide

C13H17NO2S — CID 78760023

IUPACN-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(OC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NO2S/c1-9(13(15)14-10-3-4-10)16-11-5-7-12(17-2)8-6-11/h5-10H,3-4H2,1-2H3,(H,14,15)
InChIKeyNUEMROLPPISCCG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.45
Rot. Bonds5

About N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide

N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide (PubChem CID 78760023) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
PubChem CID78760023
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(OC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NO2S/c1-9(13(15)14-10-3-4-10)16-11-5-7-12(17-2)8-6-11/h5-10H,3-4H2,1-2H3,(H,14,15)
InChIKeyNUEMROLPPISCCG-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124859152
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide?
The IUPAC name of N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide (CID 78760023) is N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide is CSc1ccc(OC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide?
The InChIKey is NUEMROLPPISCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(13(15)14-10-3-4-10)16-11-5-7-12(17-2)8-6-11/h5-10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide?
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide has a molecular weight of 251.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide is sourced from PubChem (CID 78760023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).