N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide

C17H19NO2S — CID 30865798

IUPACN-(2-phenoxyethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C17H19NO2S/c19-17(11-14-21-16-9-5-2-6-10-16)18-12-13-20-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,18,19)
InChIKeyKZDWUELNSZZVOM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.36
Rot. Bonds8

About N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide

N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide (PubChem CID 30865798) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-phenylsulfanylpropanamide
PubChem CID30865798
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2-phenoxyethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C17H19NO2S/c19-17(11-14-21-16-9-5-2-6-10-16)18-12-13-20-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,18,19)
InChIKeyKZDWUELNSZZVOM-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenylsulfanyl-propyl)-amine
CID 10615787
N-[2-(tert-butylsulfanyl)ethyl]-2-phenoxyacetamide
CID 2269123
2-[4-[4-[2-oxo-2-(pentan-2-ylamino)ethoxy]phenyl]sulfonylphenoxy]-N-pentan-2-ylacetamide
CID 3359218
2-[4-[4-[2-oxo-2-(pentan-2-ylamino)ethoxy]phenyl]sulfanylphenoxy]-N-pentan-2-ylacetamide
CID 3440035
N-(3-methylbutan-2-yl)-2-[4-[4-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 4404285
N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 4563338
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
N-[(2R)-2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 49865205
N-[(2S)-2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 49865206
N-{2-[(3-methoxyphenyl)sulfanyl]ethyl}acetamide
CID 49865265
N-[2-(2-methoxyphenyl)sulfanylethyl]acetamide
CID 49865267

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide (CID 30865798) is N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide?
The InChIKey is KZDWUELNSZZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(11-14-21-16-9-5-2-6-10-16)18-12-13-20-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,18,19).
What are the key properties of N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide?
N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 30865798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).