2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C26H31N3O2S — CID 112809737

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccc(OC)cc3)N3CCCC3)cs2)cc1
InChIInChI=1S/C26H31N3O2S/c1-3-19-6-8-21(9-7-19)26-28-22(18-32-26)16-25(30)27-17-24(29-14-4-5-15-29)20-10-12-23(31-2)13-11-20/h6-13,18,24H,3-5,14-17H2,1-2H3,(H,27,30)
InChIKeyZXBGWTFPPQMEFR-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.88
Rot. Bonds9

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 112809737) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID112809737
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccc(OC)cc3)N3CCCC3)cs2)cc1
InChIInChI=1S/C26H31N3O2S/c1-3-19-6-8-21(9-7-19)26-28-22(18-32-26)16-25(30)27-17-24(29-14-4-5-15-29)20-10-12-23(31-2)13-11-20/h6-13,18,24H,3-5,14-17H2,1-2H3,(H,27,30)
InChIKeyZXBGWTFPPQMEFR-UHFFFAOYSA-N
XLogP4.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809765
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46446899
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 24544237
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 112809737) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is CCc1ccc(-c2nc(CC(=O)NCC(c3ccc(OC)cc3)N3CCCC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is ZXBGWTFPPQMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-3-19-6-8-21(9-7-19)26-28-22(18-32-26)16-25(30)27-17-24(29-14-4-5-15-29)20-10-12-23(31-2)13-11-20/h6-13,18,24H,3-5,14-17H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 449.62 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 112809737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).