[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

C16H22N4O7S — CID 42970883

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H22N4O7S/c1-4-17-16(24)20-15(23)10(2)27-14(22)9-18-28(25,26)13-7-5-12(6-8-13)19-11(3)21/h5-8,10,18H,4,9H2,1-3H3,(H,19,21)(H2,17,20,23,24)
InChIKeyNLGADCZHARSDSL-UHFFFAOYSA-N
MW414.44 g/mol
LogP-0.30
Rot. Bonds8

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 42970883) has the molecular formula C16H22N4O7S and a molecular weight of 414.44 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID42970883
Molecular FormulaC16H22N4O7S
Molecular Weight414.44 g/mol
Exact Mass414.12
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H22N4O7S/c1-4-17-16(24)20-15(23)10(2)27-14(22)9-18-28(25,26)13-7-5-12(6-8-13)19-11(3)21/h5-8,10,18H,4,9H2,1-3H3,(H,19,21)(H2,17,20,23,24)
InChIKeyNLGADCZHARSDSL-UHFFFAOYSA-N
XLogP-0.30
TPSA159.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8603350
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 8634007
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839538
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55366984
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954206
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 16522026
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55421866
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8576950
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514633
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 8575093
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46617584

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 42970883) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is CCNC(=O)NC(=O)C(C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is NLGADCZHARSDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O7S/c1-4-17-16(24)20-15(23)10(2)27-14(22)9-18-28(25,26)13-7-5-12(6-8-13)19-11(3)21/h5-8,10,18H,4,9H2,1-3H3,(H,19,21)(H2,17,20,23,24).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 414.44 g/mol, XLogP of -0.30, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 42970883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).