ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate

C14H18N2O5S — CID 22750825

IUPACethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NS(=O)(=O)/C=C(\C)c1ccccc1
InChIInChI=1S/C14H18N2O5S/c1-3-21-13(17)9-15-14(18)16-22(19,20)10-11(2)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,15,16,18)/b11-10+
InChIKeyVEFOUAIQANQOCU-ZHACJKMWSA-N
MW326.37 g/mol
LogP1.24
Rot. Bonds6

About ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate

ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate (PubChem CID 22750825) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate
PubChem CID22750825
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Nameethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NS(=O)(=O)/C=C(\C)c1ccccc1
InChIInChI=1S/C14H18N2O5S/c1-3-21-13(17)9-15-14(18)16-22(19,20)10-11(2)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,15,16,18)/b11-10+
InChIKeyVEFOUAIQANQOCU-ZHACJKMWSA-N
XLogP1.24
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate (CID 22750825) is ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NS(=O)(=O)/C=C(\C)c1ccccc1.
What is the InChIKey of ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate?
The InChIKey is VEFOUAIQANQOCU-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-3-21-13(17)9-15-14(18)16-22(19,20)10-11(2)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,15,16,18)/b11-10+.
What are the key properties of ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate?
ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate has a molecular weight of 326.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]acetate is sourced from PubChem (CID 22750825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).