[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

C19H21FN2O5S — CID 2449283

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O5S/c1-14(2)22(15-8-4-3-5-9-15)18(23)13-27-19(24)12-21-28(25,26)17-11-7-6-10-16(17)20/h3-11,14,21H,12-13H2,1-2H3
InChIKeyRMRKKAGKOVDDRU-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.09
Rot. Bonds8

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (PubChem CID 2449283) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
PubChem CID2449283
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O5S/c1-14(2)22(15-8-4-3-5-9-15)18(23)13-27-19(24)12-21-28(25,26)17-11-7-6-10-16(17)20/h3-11,14,21H,12-13H2,1-2H3
InChIKeyRMRKKAGKOVDDRU-UHFFFAOYSA-N
XLogP2.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (CID 2449283) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is CC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The InChIKey is RMRKKAGKOVDDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-14(2)22(15-8-4-3-5-9-15)18(23)13-27-19(24)12-21-28(25,26)17-11-7-6-10-16(17)20/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate has a molecular weight of 408.45 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2449283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).