N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide

C17H16F2N2O2S — CID 9439216

IUPACN-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccccc1F
InChIInChI=1S/C17H16F2N2O2S/c1-21(10-16(22)20-13-6-4-5-12(18)9-13)17(23)11-24-15-8-3-2-7-14(15)19/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyDOQATOVNNNIWDI-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.15
Rot. Bonds6

About N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide

N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide (PubChem CID 9439216) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
PubChem CID9439216
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC NameN-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccccc1F
InChIInChI=1S/C17H16F2N2O2S/c1-21(10-16(22)20-13-6-4-5-12(18)9-13)17(23)11-24-15-8-3-2-7-14(15)19/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyDOQATOVNNNIWDI-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide (CID 9439216) is N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccccc1F.
What is the InChIKey of N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide?
The InChIKey is DOQATOVNNNIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-21(10-16(22)20-13-6-4-5-12(18)9-13)17(23)11-24-15-8-3-2-7-14(15)19/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide?
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide has a molecular weight of 350.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 9439216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).