2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide

C18H18N2O4S — CID 51308725

IUPAC2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide
SMILESNC(=O)C(NC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c19-18(22)17(12-4-2-1-3-5-12)20-16(21)11-25-13-6-7-14-15(10-13)24-9-8-23-14/h1-7,10,17H,8-9,11H2,(H2,19,22)(H,20,21)
InChIKeyJGCDHNPTECGRRH-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.89
Rot. Bonds6

About 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide (PubChem CID 51308725) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide
PubChem CID51308725
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide
SMILESNC(=O)C(NC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C18H18N2O4S/c19-18(22)17(12-4-2-1-3-5-12)20-16(21)11-25-13-6-7-14-15(10-13)24-9-8-23-14/h1-7,10,17H,8-9,11H2,(H2,19,22)(H,20,21)
InChIKeyJGCDHNPTECGRRH-UHFFFAOYSA-N
XLogP1.89
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide
CID 56522785
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 43008375
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentan-3-ylacetamide
CID 7457789
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42988814
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 29433713
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 2606684
2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-2-phenylacetamide
CID 71900075
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 7457809
2-chloro-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 4805905
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 41036714
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17399471
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenylacetamide
CID 52527137

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide (CID 51308725) is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide is NC(=O)C(NC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide?
The InChIKey is JGCDHNPTECGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c19-18(22)17(12-4-2-1-3-5-12)20-16(21)11-25-13-6-7-14-15(10-13)24-9-8-23-14/h1-7,10,17H,8-9,11H2,(H2,19,22)(H,20,21).
What are the key properties of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide?
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide has a molecular weight of 358.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 51308725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).