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

C18H21NO2S — CID 30380711

IUPAC(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C18H21NO2S/c1-4-14-8-5-6-11-17(14)21-13(2)18(20)19-15-9-7-10-16(12-15)22-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyHJHYGWRZGPOYRR-CYBMUJFWSA-N
MW315.44 g/mol
LogP4.38
Rot. Bonds6

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

(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 30380711) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID30380711
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C18H21NO2S/c1-4-14-8-5-6-11-17(14)21-13(2)18(20)19-15-9-7-10-16(12-15)22-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyHJHYGWRZGPOYRR-CYBMUJFWSA-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

(2R)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 94027173
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 2665735
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide (CID 30380711) is (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide is CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(SC)c1.
What is the InChIKey of (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is HJHYGWRZGPOYRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-14-8-5-6-11-17(14)21-13(2)18(20)19-15-9-7-10-16(12-15)22-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
(2R)-2-(2-ethylphenoxy)-N-(3-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 (2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 30380711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).