(2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide

C17H24N2O4S — CID 11849844

IUPAC(2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C17H24N2O4S/c1-13(2)24(22,23)19-10-6-9-16(19)17(21)18-15(12-20)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,18,21)/t15?,16-/m1/s1
InChIKeyVMYAFUQSYZCIBA-OEMAIJDKSA-N
MW352.46 g/mol
LogP1.12
Rot. Bonds7

About (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 11849844) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID11849844
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C17H24N2O4S/c1-13(2)24(22,23)19-10-6-9-16(19)17(21)18-15(12-20)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,18,21)/t15?,16-/m1/s1
InChIKeyVMYAFUQSYZCIBA-OEMAIJDKSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide (CID 11849844) is (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide is CC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1.
What is the InChIKey of (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is VMYAFUQSYZCIBA-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13(2)24(22,23)19-10-6-9-16(19)17(21)18-15(12-20)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,18,21)/t15?,16-/m1/s1.
What are the key properties of (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11849844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).