phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate

C19H19NO5S — CID 71954263

IUPACphenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
SMILESCc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO5S/c1-15-7-9-16(10-8-15)11-12-26(23,24)20-13-19(22)25-14-18(21)17-5-3-2-4-6-17/h2-12,20H,13-14H2,1H3
InChIKeyPKQNCGHVUWKRQG-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.31
Rot. Bonds8

About phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate

phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate (PubChem CID 71954263) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate.

Molecular Properties

Compound Namephenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
PubChem CID71954263
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Namephenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
SMILESCc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO5S/c1-15-7-9-16(10-8-15)11-12-26(23,24)20-13-19(22)25-14-18(21)17-5-3-2-4-6-17/h2-12,20H,13-14H2,1H3
InChIKeyPKQNCGHVUWKRQG-UHFFFAOYSA-N
XLogP2.31
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826850
2-chloroprop-2-enyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 27278992
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397894
[2-(2-acetylanilino)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18281560
(2-fluorophenyl)methyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397922
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954285
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397883
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397934
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2439471
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 42460546
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18273477

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate?
The IUPAC name of phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate (CID 71954263) is phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate.
What is the SMILES notation for phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate?
The canonical SMILES for phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate is Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)c2ccccc2)cc1.
What is the InChIKey of phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate?
The InChIKey is PKQNCGHVUWKRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-15-7-9-16(10-8-15)11-12-26(23,24)20-13-19(22)25-14-18(21)17-5-3-2-4-6-17/h2-12,20H,13-14H2,1H3.
What are the key properties of phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate?
phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate has a molecular weight of 373.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate is sourced from PubChem (CID 71954263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).