[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate

C17H24N2O5S — CID 9066476

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
SMILESCc1ccc(/C=C/S(=O)(=O)NCCC(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C17H24N2O5S/c1-13(2)19-16(20)12-24-17(21)8-10-18-25(22,23)11-9-15-6-4-14(3)5-7-15/h4-7,9,11,13,18H,8,10,12H2,1-3H3,(H,19,20)/b11-9+
InChIKeySBAJNUCATPTLBT-PKNBQFBNSA-N
MW368.46 g/mol
LogP1.34
Rot. Bonds9

About [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate

[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate (PubChem CID 9066476) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
PubChem CID9066476
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
SMILESCc1ccc(/C=C/S(=O)(=O)NCCC(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C17H24N2O5S/c1-13(2)19-16(20)12-24-17(21)8-10-18-25(22,23)11-9-15-6-4-14(3)5-7-15/h4-7,9,11,13,18H,8,10,12H2,1-3H3,(H,19,20)/b11-9+
InChIKeySBAJNUCATPTLBT-PKNBQFBNSA-N
XLogP1.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate 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

[2-(4-methylanilino)-2-oxoethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
CID 9066471
3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397883
N-(2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 7602988
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 9292555
2-chloroprop-2-enyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 27278992
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18276091
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 9292365
N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9273061
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954285
phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954263
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 4847149

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate (CID 9066476) is [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate is Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)OCC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate?
The InChIKey is SBAJNUCATPTLBT-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13(2)19-16(20)12-24-17(21)8-10-18-25(22,23)11-9-15-6-4-14(3)5-7-15/h4-7,9,11,13,18H,8,10,12H2,1-3H3,(H,19,20)/b11-9+.
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate has a molecular weight of 368.46 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate is sourced from PubChem (CID 9066476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).