propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

C13H17NO4S — CID 35522147

IUPACpropyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCCOC(=O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO4S/c1-2-9-18-13(15)11-14-19(16,17)10-8-12-6-4-3-5-7-12/h3-8,10,14H,2,9,11H2,1H3/b10-8+
InChIKeyVNUFPGJCBFZQIL-CSKARUKUSA-N
MW283.35 g/mol
LogP1.53
Rot. Bonds7

About propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 35522147) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namepropyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID35522147
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namepropyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCCOC(=O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO4S/c1-2-9-18-13(15)11-14-19(16,17)10-8-12-6-4-3-5-7-12/h3-8,10,14H,2,9,11H2,1H3/b10-8+
InChIKeyVNUFPGJCBFZQIL-CSKARUKUSA-N
XLogP1.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55321942
[(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
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826850
[2-(2-methylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826957
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 9292365
phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954263
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826987

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 35522147) is propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is CCCOC(=O)CNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is VNUFPGJCBFZQIL-CSKARUKUSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-9-18-13(15)11-14-19(16,17)10-8-12-6-4-3-5-7-12/h3-8,10,14H,2,9,11H2,1H3/b10-8+.
What are the key properties of propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 283.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 35522147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).