2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide

C16H17NO2S — CID 86077179

IUPAC2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1COc1ccccc1
InChIInChI=1S/C16H17NO2S/c17-16(18)12-20-11-14-7-5-4-6-13(14)10-19-15-8-2-1-3-9-15/h1-9H,10-12H2,(H2,17,18)
InChIKeyKDQXSNHEUJKZNL-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.98
Rot. Bonds7

About 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide

2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 86077179) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide
PubChem CID86077179
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1COc1ccccc1
InChIInChI=1S/C16H17NO2S/c17-16(18)12-20-11-14-7-5-4-6-13(14)10-19-15-8-2-1-3-9-15/h1-9H,10-12H2,(H2,17,18)
InChIKeyKDQXSNHEUJKZNL-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]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-[(2-amino-2-oxoethyl)sulfanylmethyl]benzoic acid
CID 82177510
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
potassium;hydride;2-phenoxyacetamide
CID 175513799
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
methyl thiohypochlorite;2-phenoxyacetamide
CID 143004120
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
CID 24694851
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetamide
CID 66938308

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide?
The IUPAC name of 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide (CID 86077179) is 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide is NC(=O)CSCc1ccccc1COc1ccccc1.
What is the InChIKey of 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is KDQXSNHEUJKZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-16(18)12-20-11-14-7-5-4-6-13(14)10-19-15-8-2-1-3-9-15/h1-9H,10-12H2,(H2,17,18).
What are the key properties of 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide?
2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 287.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 86077179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).