(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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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
CID 7752627
[(1R)-1-cyanoethyl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
CID 7752634
ethyl 2-[2-amino-1-(4-fluorophenyl)butyl]sulfanylacetate
CID 55014940
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
methyl 2-[2-amino-1-(4-fluorophenyl)propyl]sulfanylacetate
CID 55014890
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888
2-(4-fluorophenyl)butanediamide
CID 69053213
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486788
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952

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).