[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C16H23N3O6S — CID 2410031

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23N3O6S/c1-11(2)17-16(22)18-14(20)10-25-15(21)9-19(4)26(23,24)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20,22)
InChIKeyZRHURLOBGZUJBM-UHFFFAOYSA-N
MW385.44 g/mol
LogP0.39
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2410031) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID2410031
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23N3O6S/c1-11(2)17-16(22)18-14(20)10-25-15(21)9-19(4)26(23,24)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20,22)
InChIKeyZRHURLOBGZUJBM-UHFFFAOYSA-N
XLogP0.39
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)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

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 16246186
16-(Toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane-3,11-dione
CID 654766
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 2427868
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3353616
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 4009574
(S)-2-[3-(4-Sulfamoyl-benzyl)-ureido]-propionic acid methyl ester
CID 2000674
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2394606
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645852
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4117638
[1-(Ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 4329588
2-Oxo-2-[(propylcarbamoyl)amino]ethyl 2-(2-phenylethenesulfonamido)acetate
CID 5783061
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 25163802

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 2410031) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is ZRHURLOBGZUJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-11(2)17-16(22)18-14(20)10-25-15(21)9-19(4)26(23,24)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20,22).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 385.44 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2410031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).