propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

C13H17NO4S — CID 35522145

IUPACpropan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO4S/c1-11(2)18-13(15)10-14-19(16,17)9-8-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3/b9-8+
InChIKeyRWLDDHDDTJQMTD-CMDGGOBGSA-N
MW283.35 g/mol
LogP1.53
Rot. Bonds6

About propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 35522145) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID35522145
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namepropan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO4S/c1-11(2)18-13(15)10-14-19(16,17)9-8-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3/b9-8+
InChIKeyRWLDDHDDTJQMTD-CMDGGOBGSA-N
XLogP1.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55418491
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826915
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826898
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55418618
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 9292365
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 46620652
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18205951
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
CID 6235486

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 35522145) is propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is CC(C)OC(=O)CNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is RWLDDHDDTJQMTD-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-11(2)18-13(15)10-14-19(16,17)9-8-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3/b9-8+.
What are the key properties of propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 283.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 35522145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).