(2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

C20H22N2O4S — CID 11849845

IUPAC(2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1
InChIKeyIJRMOTAUDSEILF-WHCXFUJUSA-N
MW386.47 g/mol
LogP1.77
Rot. Bonds7

About (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

(2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 11849845) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID11849845
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1
InChIKeyIJRMOTAUDSEILF-WHCXFUJUSA-N
XLogP1.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.77
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)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (CID 11849845) is (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is IJRMOTAUDSEILF-WHCXFUJUSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11849845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).