(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide

C19H23N3O3S — CID 110087574

IUPAC(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-25-11-10-22-17(23)13-15(18(22)14-5-3-2-4-6-14)19(24)21-8-7-16-20-9-12-26-16/h2-6,9,12,15,18H,7-8,10-11,13H2,1H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyKBDWNLXQXOWMSG-QAPCUYQASA-N
MW373.48 g/mol
LogP2.04
Rot. Bonds8

About (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide

(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 110087574) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID110087574
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-25-11-10-22-17(23)13-15(18(22)14-5-3-2-4-6-14)19(24)21-8-7-16-20-9-12-26-16/h2-6,9,12,15,18H,7-8,10-11,13H2,1H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyKBDWNLXQXOWMSG-QAPCUYQASA-N
XLogP2.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 110087574) is (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is COCCN1C(=O)C[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is KBDWNLXQXOWMSG-QAPCUYQASA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-11-10-22-17(23)13-15(18(22)14-5-3-2-4-6-14)19(24)21-8-7-16-20-9-12-26-16/h2-6,9,12,15,18H,7-8,10-11,13H2,1H3,(H,21,24)/t15-,18+/m1/s1.
What are the key properties of (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110087574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).