[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate

C18H26N2O5S — CID 7753689

IUPAC[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCCC2)c1
InChIInChI=1S/C18H26N2O5S/c1-13(2)19(4)26(23,24)16-9-7-8-15(12-16)18(22)25-14(3)17(21)20-10-5-6-11-20/h7-9,12-14H,5-6,10-11H2,1-4H3/t14-/m1/s1
InChIKeyHGIHTHXBFMKHKI-CQSZACIVSA-N
MW382.48 g/mol
LogP1.88
Rot. Bonds6

About [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 7753689) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID7753689
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCCC2)c1
InChIInChI=1S/C18H26N2O5S/c1-13(2)19(4)26(23,24)16-9-7-8-15(12-16)18(22)25-14(3)17(21)20-10-5-6-11-20/h7-9,12-14H,5-6,10-11H2,1-4H3/t14-/m1/s1
InChIKeyHGIHTHXBFMKHKI-CQSZACIVSA-N
XLogP1.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(1-oxo-1-phenylpropan-2-yl) 3-(dimethylsulfamoyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate (CID 7753689) is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCCC2)c1.
What is the InChIKey of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is HGIHTHXBFMKHKI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(2)19(4)26(23,24)16-9-7-8-15(12-16)18(22)25-14(3)17(21)20-10-5-6-11-20/h7-9,12-14H,5-6,10-11H2,1-4H3/t14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 382.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 7753689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).