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

C22H22N2O3S — CID 55661370

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)CSCc2cccc(C)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-5-3-6-17(13-16)14-28-15-21(25)24-20-7-4-12-23-22(20)27-19-10-8-18(26-2)9-11-19/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyDNCLMYWEEGLMMQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.06
Rot. Bonds8

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

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 55661370) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID55661370
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)CSCc2cccc(C)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-5-3-6-17(13-16)14-28-15-21(25)24-20-7-4-12-23-22(20)27-19-10-8-18(26-2)9-11-19/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyDNCLMYWEEGLMMQ-UHFFFAOYSA-N
XLogP5.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)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

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 55661128
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55764141
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 55764173
2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 9326313
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 55763738
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55763297

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 55661370) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is COc1ccc(Oc2ncccc2NC(=O)CSCc2cccc(C)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is DNCLMYWEEGLMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-5-3-6-17(13-16)14-28-15-21(25)24-20-7-4-12-23-22(20)27-19-10-8-18(26-2)9-11-19/h3-13H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 55661370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).