(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide

C18H21NO3S — CID 28577516

IUPAC(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)NCCSc2ccccc2)c1
InChIInChI=1S/C18H21NO3S/c1-14(22-16-8-6-7-15(13-16)21-2)18(20)19-11-12-23-17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyJRIKWTTYSQJNKY-AWEZNQCLSA-N
MW331.44 g/mol
LogP3.37
Rot. Bonds8

About (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide

(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 28577516) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
PubChem CID28577516
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)NCCSc2ccccc2)c1
InChIInChI=1S/C18H21NO3S/c1-14(22-16-8-6-7-15(13-16)21-2)18(20)19-11-12-23-17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyJRIKWTTYSQJNKY-AWEZNQCLSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.37
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

(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
CID 21173333
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 43915835
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide (CID 28577516) is (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide is COc1cccc(O[C@@H](C)C(=O)NCCSc2ccccc2)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is JRIKWTTYSQJNKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14(22-16-8-6-7-15(13-16)21-2)18(20)19-11-12-23-17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide?
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 331.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 28577516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).