2-phenoxy-N-(2-phenylsulfanylethyl)acetamide

C16H17NO2S — CID 2899466

IUPAC2-phenoxy-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(COc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C16H17NO2S/c18-16(13-19-14-7-3-1-4-8-14)17-11-12-20-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)
InChIKeyUDXJFQPOBGDKKV-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.97
Rot. Bonds7

About 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide

2-phenoxy-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2899466) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2899466
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-phenoxy-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(COc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C16H17NO2S/c18-16(13-19-14-7-3-1-4-8-14)17-11-12-20-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)
InChIKeyUDXJFQPOBGDKKV-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide 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

2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2533627
N-[2-(tert-butylsulfanyl)ethyl]-2-phenoxyacetamide
CID 2269123
N-(2-methoxyethyl)-2-(4-phenoxyphenoxy)acetamide
CID 2323541
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-[(2S)-1-(3-methoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 49865378

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide (CID 2899466) is 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide is O=C(COc1ccccc1)NCCSc1ccccc1.
What is the InChIKey of 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is UDXJFQPOBGDKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(13-19-14-7-3-1-4-8-14)17-11-12-20-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18).
What are the key properties of 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide?
2-phenoxy-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2899466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).