2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide

C22H21NO2S — CID 7914800

IUPAC2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO2S/c1-17-6-5-7-18(14-17)15-26-16-22(24)23-19-10-12-21(13-11-19)25-20-8-3-2-4-9-20/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyVWVOKCUWBUTLLA-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.66
Rot. Bonds7

About 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide

2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 7914800) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
PubChem CID7914800
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO2S/c1-17-6-5-7-18(14-17)15-26-16-22(24)23-19-10-12-21(13-11-19)25-20-8-3-2-4-9-20/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyVWVOKCUWBUTLLA-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)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

N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-benzylsulfanyl-N-phenylacetamide
CID 584914
[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate
CID 26689437
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55661370
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1293770
2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008284

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide (CID 7914800) is 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide is Cc1cccc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is VWVOKCUWBUTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-17-6-5-7-18(14-17)15-26-16-22(24)23-19-10-12-21(13-11-19)25-20-8-3-2-4-9-20/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide?
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 363.48 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 7914800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).