2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C23H23N3O3S — CID 16601162

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C23H23N3O3S/c1-2-29-20-10-4-3-9-19(20)23-25-17(15-30-23)14-21(27)24-16-7-5-8-18(13-16)26-12-6-11-22(26)28/h3-5,7-10,13,15H,2,6,11-12,14H2,1H3,(H,24,27)
InChIKeyXFVQXSXJGNPJGT-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.52
Rot. Bonds7

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 16601162) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID16601162
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C23H23N3O3S/c1-2-29-20-10-4-3-9-19(20)23-25-17(15-30-23)14-21(27)24-16-7-5-8-18(13-16)26-12-6-11-22(26)28/h3-5,7-10,13,15H,2,6,11-12,14H2,1H3,(H,24,27)
InChIKeyXFVQXSXJGNPJGT-UHFFFAOYSA-N
XLogP4.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16590997
N'-(2-ethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679480
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16595528
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 16592277
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46416695
N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55494109
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16597485
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 16601162) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is XFVQXSXJGNPJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-2-29-20-10-4-3-9-19(20)23-25-17(15-30-23)14-21(27)24-16-7-5-8-18(13-16)26-12-6-11-22(26)28/h3-5,7-10,13,15H,2,6,11-12,14H2,1H3,(H,24,27).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 16601162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).