[2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate

C18H24N4O5S — CID 47092510

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
SMILESCCc1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C18H24N4O5S/c1-4-14-7-5-6-8-15(14)21-16(23)12-27-18(24)9-10-19-28(25,26)17-11-22(3)13(2)20-17/h5-8,11,19H,4,9-10,12H2,1-3H3,(H,21,23)
InChIKeyMZFODFLJGCPMGT-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.14
Rot. Bonds9

About [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate

[2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate (PubChem CID 47092510) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
PubChem CID47092510
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
SMILESCCc1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C18H24N4O5S/c1-4-14-7-5-6-8-15(14)21-16(23)12-27-18(24)9-10-19-28(25,26)17-11-22(3)13(2)20-17/h5-8,11,19H,4,9-10,12H2,1-3H3,(H,21,23)
InChIKeyMZFODFLJGCPMGT-UHFFFAOYSA-N
XLogP1.14
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate with MolForge

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Related Compounds

methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067633
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602582
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35777078
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7977297
[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067653
[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35379939
N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
CID 119616424
[2-(2-ethylanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727943

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate (CID 47092510) is [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate is CCc1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate?
The InChIKey is MZFODFLJGCPMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-4-14-7-5-6-8-15(14)21-16(23)12-27-18(24)9-10-19-28(25,26)17-11-22(3)13(2)20-17/h5-8,11,19H,4,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate?
[2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate has a molecular weight of 408.48 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 47092510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).