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

C22H20ClN3O2S — CID 16550890

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1=O
InChIInChI=1S/C22H20ClN3O2S/c1-2-14-5-3-4-6-19(14)26-12-16(11-20(26)27)21(28)25-22-24-18(13-29-22)15-7-9-17(23)10-8-15/h3-10,13,16H,2,11-12H2,1H3,(H,24,25,28)
InChIKeyFUGCWGLGSSFKSC-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.02
Rot. Bonds5

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 16550890) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID16550890
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1=O
InChIInChI=1S/C22H20ClN3O2S/c1-2-14-5-3-4-6-19(14)26-12-16(11-20(26)27)21(28)25-22-24-18(13-29-22)15-7-9-17(23)10-8-15/h3-10,13,16H,2,11-12H2,1H3,(H,24,25,28)
InChIKeyFUGCWGLGSSFKSC-UHFFFAOYSA-N
XLogP5.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
(3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485811
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 16550890) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1=O.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FUGCWGLGSSFKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-2-14-5-3-4-6-19(14)26-12-16(11-20(26)27)21(28)25-22-24-18(13-29-22)15-7-9-17(23)10-8-15/h3-10,13,16H,2,11-12H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 425.94 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16550890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).