N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide

C15H12FNO3S — CID 2591799

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12FNO3S/c16-11-3-1-2-4-14(11)21-8-15(18)17-10-5-6-12-13(7-10)20-9-19-12/h1-7H,8-9H2,(H,17,18)
InChIKeyVJGLBXGDLLIGJY-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.29
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591799) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591799
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12FNO3S/c16-11-3-1-2-4-14(11)21-8-15(18)17-10-5-6-12-13(7-10)20-9-19-12/h1-7H,8-9H2,(H,17,18)
InChIKeyVJGLBXGDLLIGJY-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
CID 304849
CID 304849
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
N-(1,3-benzodioxol-5-yl)-2-ethylsulfanylbenzamide
CID 1094117
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylacetamide
CID 2121892
N-1,3-benzodioxol-5-yl-2-(methylthio)benzamide
CID 2227233
N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
CID 2478312
1-(1,3-Benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea
CID 2554270
1-(1,3-Benzodioxol-5-yl)-3-(4-fluorophenyl)urea
CID 3704231
1-(1,3-Benzodioxol-5-yl)-3-(2-fluorophenyl)urea
CID 5043693
1-(1,3-Benzodioxol-5-yl)-3-(3-fluorophenyl)urea
CID 24818572

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide (CID 2591799) is N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is VJGLBXGDLLIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3S/c16-11-3-1-2-4-14(11)21-8-15(18)17-10-5-6-12-13(7-10)20-9-19-12/h1-7H,8-9H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 305.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).