2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide

C18H21NO2S — CID 53267152

IUPAC2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C18H21NO2S/c1-4-14-6-5-7-16(12-14)21-13(2)18(20)19-15-8-10-17(22-3)11-9-15/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyBIRUSZJQBIEBFF-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.38
Rot. Bonds6

About 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide

2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 53267152) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID53267152
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C18H21NO2S/c1-4-14-6-5-7-16(12-14)21-13(2)18(20)19-15-8-10-17(22-3)11-9-15/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyBIRUSZJQBIEBFF-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903
hexyl 4-[2-(3-ethylphenoxy)propanoylamino]benzoate
CID 53266843
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate
CID 53266816
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893717
N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 24690713

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide (CID 53267152) is 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide is CCc1cccc(OC(C)C(=O)Nc2ccc(SC)cc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is BIRUSZJQBIEBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-14-6-5-7-16(12-14)21-13(2)18(20)19-15-8-10-17(22-3)11-9-15/h5-13H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 53267152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).