[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

C21H23NO5S — CID 7826898

IUPAC[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H23NO5S/c1-3-17-9-11-19(12-10-17)21(24)16(2)27-20(23)15-22-28(25,26)14-13-18-7-5-4-6-8-18/h4-14,16,22H,3,15H2,1-2H3/b14-13+/t16-/m0/s1
InChIKeyUMAWLHLPPBUJPX-VUSFMPOISA-N
MW401.48 g/mol
LogP2.95
Rot. Bonds9

About [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 7826898) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID7826898
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC Name[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H23NO5S/c1-3-17-9-11-19(12-10-17)21(24)16(2)27-20(23)15-22-28(25,26)14-13-18-7-5-4-6-8-18/h4-14,16,22H,3,15H2,1-2H3/b14-13+/t16-/m0/s1
InChIKeyUMAWLHLPPBUJPX-VUSFMPOISA-N
XLogP2.95
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826850
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
[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
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55418618
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 46620652
2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55321942
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18205951
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7229352

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 7826898) is [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is CCc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is UMAWLHLPPBUJPX-VUSFMPOISA-N. The full InChI is InChI=1S/C21H23NO5S/c1-3-17-9-11-19(12-10-17)21(24)16(2)27-20(23)15-22-28(25,26)14-13-18-7-5-4-6-8-18/h4-14,16,22H,3,15H2,1-2H3/b14-13+/t16-/m0/s1.
What are the key properties of [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 401.48 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 7826898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).