[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C18H17F2NO3S — CID 7354986

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3S/c19-14-7-5-13(6-8-14)9-10-21-17(22)11-24-18(23)12-25-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,21,22)
InChIKeyNIGUHVQNTPFYJM-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.96
Rot. Bonds8

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7354986) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7354986
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3S/c19-14-7-5-13(6-8-14)9-10-21-17(22)11-24-18(23)12-25-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,21,22)
InChIKeyNIGUHVQNTPFYJM-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7354986) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is O=C(COC(=O)CSc1ccccc1F)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is NIGUHVQNTPFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c19-14-7-5-13(6-8-14)9-10-21-17(22)11-24-18(23)12-25-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,21,22).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 365.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7354986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).