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

C24H23NO3S — CID 56522785

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide
SMILESCC(NC(=O)CSc1ccc2c(c1)OCCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3S/c1-24(18-8-4-2-5-9-18,19-10-6-3-7-11-19)25-23(26)17-29-20-12-13-21-22(16-20)28-15-14-27-21/h2-13,16H,14-15,17H2,1H3,(H,25,26)
InChIKeyOAXSZBPTGDDPCJ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.63
Rot. Bonds6

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

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide (PubChem CID 56522785) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide
PubChem CID56522785
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide
SMILESCC(NC(=O)CSc1ccc2c(c1)OCCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3S/c1-24(18-8-4-2-5-9-18,19-10-6-3-7-11-19)25-23(26)17-29-20-12-13-21-22(16-20)28-15-14-27-21/h2-13,16H,14-15,17H2,1H3,(H,25,26)
InChIKeyOAXSZBPTGDDPCJ-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide
CID 51308725
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 2606684
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 7457809
N-(4-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide
CID 7652743
N-[2-(4-bromophenyl)-2-methylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 55716586
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentan-3-ylacetamide
CID 7457789
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 29433713
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-(6-methyl-2-pyridinyl)acetamide
CID 18107184
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-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17399471
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 41036714

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide (CID 56522785) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide is CC(NC(=O)CSc1ccc2c(c1)OCCO2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide?
The InChIKey is OAXSZBPTGDDPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-24(18-8-4-2-5-9-18,19-10-6-3-7-11-19)25-23(26)17-29-20-12-13-21-22(16-20)28-15-14-27-21/h2-13,16H,14-15,17H2,1H3,(H,25,26).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 4.63, 6 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-(1,1-diphenylethyl)acetamide is sourced from PubChem (CID 56522785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).