[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

C16H20N2O6S — CID 7168366

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C16H20N2O6S/c1-12-4-6-13(7-5-12)25(22,23)17-9-8-16(21)24-11-15(20)18-10-2-3-14(18)19/h4-7,17H,2-3,8-11H2,1H3
InChIKeyQMFJMLNQCCQUKK-UHFFFAOYSA-N
MW368.41 g/mol
LogP0.36
Rot. Bonds7

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 7168366) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID7168366
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C16H20N2O6S/c1-12-4-6-13(7-5-12)25(22,23)17-9-8-16(21)24-11-15(20)18-10-2-3-14(18)19/h4-7,17H,2-3,8-11H2,1H3
InChIKeyQMFJMLNQCCQUKK-UHFFFAOYSA-N
XLogP0.36
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate (CID 7168366) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is QMFJMLNQCCQUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-12-4-6-13(7-5-12)25(22,23)17-9-8-16(21)24-11-15(20)18-10-2-3-14(18)19/h4-7,17H,2-3,8-11H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 368.41 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7168366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).