1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C23H23N3O3S — CID 16547907

IUPAC1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1=O
InChIInChI=1S/C23H23N3O3S/c1-3-15-6-4-5-7-20(15)26-13-17(12-21(26)27)22(28)25-23-24-19(14-30-23)16-8-10-18(29-2)11-9-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,24,25,28)
InChIKeyZVDOPPLAUGXQIQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.37
Rot. Bonds6

About 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 16547907) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID16547907
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1=O
InChIInChI=1S/C23H23N3O3S/c1-3-15-6-4-5-7-20(15)26-13-17(12-21(26)27)22(28)25-23-24-19(14-30-23)16-8-10-18(29-2)11-9-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,24,25,28)
InChIKeyZVDOPPLAUGXQIQ-UHFFFAOYSA-N
XLogP4.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16550890
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8747521
(3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485811
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
1-ethyl-5-oxo-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 60604654
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053
1-(4-methoxyphenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108748058
1-(2,4-difluorophenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 46404189

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 16547907) is 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZVDOPPLAUGXQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-3-15-6-4-5-7-20(15)26-13-17(12-21(26)27)22(28)25-23-24-19(14-30-23)16-8-10-18(29-2)11-9-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,24,25,28).
What are the key properties of 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16547907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).