2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide

C16H15NO3S — CID 2616084

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1
InChIInChI=1S/C16H15NO3S/c18-16(17-12-4-2-1-3-5-12)11-21-13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyGVUWPLOHYXCQRS-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.19
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide (PubChem CID 2616084) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide
PubChem CID2616084
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1
InChIInChI=1S/C16H15NO3S/c18-16(17-12-4-2-1-3-5-12)11-21-13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyGVUWPLOHYXCQRS-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-N-phenylacetamide
CID 2086772
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 2089406
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylacetamide
CID 2121892
N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide
CID 879968
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methylphenyl)acetamide
CID 2086786
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-fluorophenyl)acetamide
CID 2516099
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 2997885
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide
CID 2998787
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 3322430
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 4803461
2-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 4806920

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide (CID 2616084) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide is O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide?
The InChIKey is GVUWPLOHYXCQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-16(17-12-4-2-1-3-5-12)11-21-13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10H,8-9,11H2,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide has a molecular weight of 301.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide is sourced from PubChem (CID 2616084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).