(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C17H19N3O3S — CID 124570513

IUPAC(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)NCc3csc(=O)[nH]3)CC2=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-2-11-3-5-14(6-4-11)20-9-12(7-15(20)21)16(22)18-8-13-10-24-17(23)19-13/h3-6,10,12H,2,7-9H2,1H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeyWEKKCQNNUOKHER-LBPRGKRZSA-N
MW345.42 g/mol
LogP1.67
Rot. Bonds5

About (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 124570513) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID124570513
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)NCc3csc(=O)[nH]3)CC2=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-2-11-3-5-14(6-4-11)20-9-12(7-15(20)21)16(22)18-8-13-10-24-17(23)19-13/h3-6,10,12H,2,7-9H2,1H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeyWEKKCQNNUOKHER-LBPRGKRZSA-N
XLogP1.67
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244731
N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18153844
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438685
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 124570513) is (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is CCc1ccc(N2C[C@@H](C(=O)NCc3csc(=O)[nH]3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is WEKKCQNNUOKHER-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-11-3-5-14(6-4-11)20-9-12(7-15(20)21)16(22)18-8-13-10-24-17(23)19-13/h3-6,10,12H,2,7-9H2,1H3,(H,18,22)(H,19,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)-5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124570513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).