[(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C20H18FNO4S — CID 7906415

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C20H18FNO4S/c1-14(15-6-9-18(21)10-7-15)26-20(23)13-22-27(24,25)19-11-8-16-4-2-3-5-17(16)12-19/h2-12,14,22H,13H2,1H3/t14-/m1/s1
InChIKeyPVNUHMHTWRQSHB-CQSZACIVSA-N
MW387.43 g/mol
LogP3.56
Rot. Bonds6

About [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 7906415) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID7906415
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C20H18FNO4S/c1-14(15-6-9-18(21)10-7-15)26-20(23)13-22-27(24,25)19-11-8-16-4-2-3-5-17(16)12-19/h2-12,14,22H,13H2,1H3/t14-/m1/s1
InChIKeyPVNUHMHTWRQSHB-CQSZACIVSA-N
XLogP3.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 7906415) is [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is PVNUHMHTWRQSHB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-14(15-6-9-18(21)10-7-15)26-20(23)13-22-27(24,25)19-11-8-16-4-2-3-5-17(16)12-19/h2-12,14,22H,13H2,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 387.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 7906415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).