1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C20H25N3O2S — CID 108760146

IUPAC1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)NC(C)c2csc(C)n2)CC1=O
InChIInChI=1S/C20H25N3O2S/c1-5-15-8-6-7-12(2)19(15)23-10-16(9-18(23)24)20(25)21-13(3)17-11-26-14(4)22-17/h6-8,11,13,16H,5,9-10H2,1-4H3,(H,21,25)
InChIKeyWEMCHDMIKBDTOW-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108760146) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108760146
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)NC(C)c2csc(C)n2)CC1=O
InChIInChI=1S/C20H25N3O2S/c1-5-15-8-6-7-12(2)19(15)23-10-16(9-18(23)24)20(25)21-13(3)17-11-26-14(4)22-17/h6-8,11,13,16H,5,9-10H2,1-4H3,(H,21,25)
InChIKeyWEMCHDMIKBDTOW-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9056335
1-(2-ethyl-6-methylphenyl)-5-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108771124
1-(2-methyl-1,3-benzothiazol-5-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108737240
1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108760142
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108768488
(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 29183622
4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 108760146) is 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1cccc(C)c1N1CC(C(=O)NC(C)c2csc(C)n2)CC1=O.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WEMCHDMIKBDTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-5-15-8-6-7-12(2)19(15)23-10-16(9-18(23)24)20(25)21-13(3)17-11-26-14(4)22-17/h6-8,11,13,16H,5,9-10H2,1-4H3,(H,21,25).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108760146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).