2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide

C23H22N2O5S — CID 55674821

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C23H22N2O5S/c1-15-3-6-19(20(11-15)27-2)30-23-8-4-16(13-24-23)25-22(26)14-31-17-5-7-18-21(12-17)29-10-9-28-18/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
InChIKeyVSAAFRMMICUXCF-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.69
Rot. Bonds7

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide (PubChem CID 55674821) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
PubChem CID55674821
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C23H22N2O5S/c1-15-3-6-19(20(11-15)27-2)30-23-8-4-16(13-24-23)25-22(26)14-31-17-5-7-18-21(12-17)29-10-9-28-18/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
InChIKeyVSAAFRMMICUXCF-UHFFFAOYSA-N
XLogP4.69
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]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-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166204034
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 2641043
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 892697
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 18106874
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-fluorophenyl)acetamide
CID 7458007
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55677465
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 7976711
N-(3-bromo-4-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 7458065
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55674879
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methylsulfonylphenyl)acetamide
CID 42126270

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide (CID 55674821) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide is COc1cc(C)ccc1Oc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide?
The InChIKey is VSAAFRMMICUXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-15-3-6-19(20(11-15)27-2)30-23-8-4-16(13-24-23)25-22(26)14-31-17-5-7-18-21(12-17)29-10-9-28-18/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 55674821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).