2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

C21H19NO2S — CID 2288026

IUPAC2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c23-21(15-24-19-7-3-1-4-8-19)22-18-13-11-17(12-14-18)16-25-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23)
InChIKeyPHMNKSAWJPPRFI-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.00
Rot. Bonds7

About 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 2288026) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID2288026
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c23-21(15-24-19-7-3-1-4-8-19)22-18-13-11-17(12-14-18)16-25-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23)
InChIKeyPHMNKSAWJPPRFI-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (CID 2288026) is 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is O=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is PHMNKSAWJPPRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-21(15-24-19-7-3-1-4-8-19)22-18-13-11-17(12-14-18)16-25-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23).
What are the key properties of 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 2288026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).