[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

C19H19FN2O5S — CID 7826915

IUPAC[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESC[C@@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O5S/c1-14(19(24)22-17-9-7-16(20)8-10-17)27-18(23)13-21-28(25,26)12-11-15-5-3-2-4-6-15/h2-12,14,21H,13H2,1H3,(H,22,24)/b12-11+/t14-/m1/s1
InChIKeyABCPPDSJVOYXNX-GCZGRYASSA-N
MW406.44 g/mol
LogP2.29
Rot. Bonds8

About [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 7826915) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID7826915
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESC[C@@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O5S/c1-14(19(24)22-17-9-7-16(20)8-10-17)27-18(23)13-21-28(25,26)12-11-15-5-3-2-4-6-15/h2-12,14,21H,13H2,1H3,(H,22,24)/b12-11+/t14-/m1/s1
InChIKeyABCPPDSJVOYXNX-GCZGRYASSA-N
XLogP2.29
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18205951
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 24979995
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55418491
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55418618
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826898
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 46620652
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961636
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839538
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954206

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 7826915) is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is C[C@@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is ABCPPDSJVOYXNX-GCZGRYASSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-14(19(24)22-17-9-7-16(20)8-10-17)27-18(23)13-21-28(25,26)12-11-15-5-3-2-4-6-15/h2-12,14,21H,13H2,1H3,(H,22,24)/b12-11+/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 406.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 7826915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).