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

C16H13F2NO3S — CID 2418242

IUPACN-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F2NO3S/c17-11-2-1-3-12(18)16(11)19-15(20)9-23-10-4-5-13-14(8-10)22-7-6-21-13/h1-5,8H,6-7,9H2,(H,19,20)
InChIKeyDMXOKYYSHNIHOY-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.47
Rot. Bonds4

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

N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide (PubChem CID 2418242) has the molecular formula C16H13F2NO3S and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
PubChem CID2418242
Molecular FormulaC16H13F2NO3S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC NameN-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F2NO3S/c17-11-2-1-3-12(18)16(11)19-15(20)9-23-10-4-5-13-14(8-10)22-7-6-21-13/h1-5,8H,6-7,9H2,(H,19,20)
InChIKeyDMXOKYYSHNIHOY-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide (CID 2418242) is N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide is O=C(CSc1ccc2c(c1)OCCO2)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The InChIKey is DMXOKYYSHNIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3S/c17-11-2-1-3-12(18)16(11)19-15(20)9-23-10-4-5-13-14(8-10)22-7-6-21-13/h1-5,8H,6-7,9H2,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 2418242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).