(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide

C19H18N2O4S — CID 162677454

IUPAC(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCN1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C19H18N2O4S/c22-19(20-23)18-7-4-14-21(18)26(24,25)17-12-10-16(11-13-17)9-8-15-5-2-1-3-6-15/h1-3,5-6,10-13,18,23H,4,7,14H2,(H,20,22)/t18-/m1/s1
InChIKeyGBOSZSDEEVHWPB-GOSISDBHSA-N
MW370.43 g/mol
LogP1.74
Rot. Bonds3

About (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide

(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 162677454) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID162677454
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCN1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C19H18N2O4S/c22-19(20-23)18-7-4-14-21(18)26(24,25)17-12-10-16(11-13-17)9-8-15-5-2-1-3-6-15/h1-3,5-6,10-13,18,23H,4,7,14H2,(H,20,22)/t18-/m1/s1
InChIKeyGBOSZSDEEVHWPB-GOSISDBHSA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 162677454) is (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide is O=C(NO)[C@H]1CCCN1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is GBOSZSDEEVHWPB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-19(20-23)18-7-4-14-21(18)26(24,25)17-12-10-16(11-13-17)9-8-15-5-2-1-3-6-15/h1-3,5-6,10-13,18,23H,4,7,14H2,(H,20,22)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 162677454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).