N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H19N3O3S — CID 95134783

IUPACN-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)Cc2csc(C)n2)CC1=O
InChIInChI=1S/C17H19N3O3S/c1-11-18-13(10-24-11)7-16(21)19-12-8-17(22)20(9-12)14-5-3-4-6-15(14)23-2/h3-6,10,12H,7-9H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyOVKLPPJFQZDZHR-GFCCVEGCSA-N
MW345.42 g/mol
LogP1.92
Rot. Bonds5

About N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 95134783) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID95134783
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)Cc2csc(C)n2)CC1=O
InChIInChI=1S/C17H19N3O3S/c1-11-18-13(10-24-11)7-16(21)19-12-8-17(22)20(9-12)14-5-3-4-6-15(14)23-2/h3-6,10,12H,7-9H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyOVKLPPJFQZDZHR-GFCCVEGCSA-N
XLogP1.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopenten-1-yl)-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
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N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
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(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
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(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide
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N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 95134783) is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1ccccc1N1C[C@H](NC(=O)Cc2csc(C)n2)CC1=O.
What is the InChIKey of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OVKLPPJFQZDZHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-18-13(10-24-11)7-16(21)19-12-8-17(22)20(9-12)14-5-3-4-6-15(14)23-2/h3-6,10,12H,7-9H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 95134783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).