N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide

C19H23NO2S — CID 46773020

IUPACN-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C19H23NO2S/c1-15-8-6-7-11-18(15)22-16(2)19(21)20-12-13-23-14-17-9-4-3-5-10-17/h3-11,16H,12-14H2,1-2H3,(H,20,21)
InChIKeyUUPLYKSJGGAEMP-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.81
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide

N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide (PubChem CID 46773020) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
PubChem CID46773020
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C19H23NO2S/c1-15-8-6-7-11-18(15)22-16(2)19(21)20-12-13-23-14-17-9-4-3-5-10-17/h3-11,16H,12-14H2,1-2H3,(H,20,21)
InChIKeyUUPLYKSJGGAEMP-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.81
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

(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 28575591
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 43875466
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
CID 26075071
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
(2S)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 9173320
(2R)-N-(2-benzylsulfanylethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99954618
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 43916117
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
(2R)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100597757

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide (CID 46773020) is N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide is Cc1ccccc1OC(C)C(=O)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide?
The InChIKey is UUPLYKSJGGAEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-8-6-7-11-18(15)22-16(2)19(21)20-12-13-23-14-17-9-4-3-5-10-17/h3-11,16H,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide?
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide has a molecular weight of 329.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 46773020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).