(2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate

C17H15F2NO3S — CID 7752640

IUPAC(2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
SMILESNC(=O)COC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3S/c18-13-5-1-11(2-6-13)17(12-3-7-14(19)8-4-12)24-10-16(22)23-9-15(20)21/h1-8,17H,9-10H2,(H2,20,21)
InChIKeyPCJFZRHYRRYZCK-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.82
Rot. Bonds7

About (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate

(2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate (PubChem CID 7752640) has the molecular formula C17H15F2NO3S and a molecular weight of 351.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
PubChem CID7752640
Molecular FormulaC17H15F2NO3S
Molecular Weight351.37 g/mol
Exact Mass351.07
IUPAC Name(2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
SMILESNC(=O)COC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3S/c18-13-5-1-11(2-6-13)17(12-3-7-14(19)8-4-12)24-10-16(22)23-9-15(20)21/h1-8,17H,9-10H2,(H2,20,21)
InChIKeyPCJFZRHYRRYZCK-UHFFFAOYSA-N
XLogP2.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate (CID 7752640) is (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate is NC(=O)COC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
The InChIKey is PCJFZRHYRRYZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3S/c18-13-5-1-11(2-6-13)17(12-3-7-14(19)8-4-12)24-10-16(22)23-9-15(20)21/h1-8,17H,9-10H2,(H2,20,21).
What are the key properties of (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
(2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate has a molecular weight of 351.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate is sourced from PubChem (CID 7752640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).