(2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

C20H21FN2O4S — CID 11849205

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1
InChIKeyCSBNXBZZBDQHGB-WHCXFUJUSA-N
MW404.46 g/mol
LogP1.91
Rot. Bonds7

About (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

(2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 11849205) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID11849205
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1
InChIKeyCSBNXBZZBDQHGB-WHCXFUJUSA-N
XLogP1.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 51.91
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-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (CID 11849205) is (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CSBNXBZZBDQHGB-WHCXFUJUSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11849205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).