2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C18H18N2O4S — CID 3933322

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18N2O4S/c1-12(21)19-13-2-5-15(6-3-13)25-11-18(22)20-14-4-7-16-17(10-14)24-9-8-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFUYGHIDAIGFUEV-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 3933322) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID3933322
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18N2O4S/c1-12(21)19-13-2-5-15(6-3-13)25-11-18(22)20-14-4-7-16-17(10-14)24-9-8-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFUYGHIDAIGFUEV-UHFFFAOYSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
N-(3,4-dimethoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 970129
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
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
3-[(2-Aminophenyl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 2731588
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135460604
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiophene-2-carboxamide
CID 2810390
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)propionamide
CID 2788656
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
CID 2789424

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 3933322) is 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is FUYGHIDAIGFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12(21)19-13-2-5-15(6-3-13)25-11-18(22)20-14-4-7-16-17(10-14)24-9-8-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 3933322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).