2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid

C12H14N2O5S — CID 6235486

IUPAC2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14N2O5S/c15-11(13-9-12(16)17)8-14-20(18,19)7-6-10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,13,15)(H,16,17)/b7-6+
InChIKeyRNZRVTZGMJXIGG-VOTSOKGWSA-N
MW298.32 g/mol
LogP-0.22
Rot. Bonds7

About 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid

2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid (PubChem CID 6235486) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
PubChem CID6235486
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14N2O5S/c15-11(13-9-12(16)17)8-14-20(18,19)7-6-10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,13,15)(H,16,17)/b7-6+
InChIKeyRNZRVTZGMJXIGG-VOTSOKGWSA-N
XLogP-0.22
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
N-(2-fluorophenyl)-2-[[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42766043
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
CID 60893294
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
[2-(2-methylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826957
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 9292365

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid (CID 6235486) is 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is RNZRVTZGMJXIGG-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H14N2O5S/c15-11(13-9-12(16)17)8-14-20(18,19)7-6-10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,13,15)(H,16,17)/b7-6+.
What are the key properties of 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 298.32 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 6235486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).