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

C26H31N3O3S — CID 46540665

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCC(c2cccc(OC)c2)N2CCCC2)cs1
InChIInChI=1S/C26H31N3O3S/c1-3-32-24-12-5-4-11-22(24)26-28-20(18-33-26)16-25(30)27-17-23(29-13-6-7-14-29)19-9-8-10-21(15-19)31-2/h4-5,8-12,15,18,23H,3,6-7,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyJHGJYQHQNFVUSY-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.71
Rot. Bonds10

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

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 46540665) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID46540665
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCC(c2cccc(OC)c2)N2CCCC2)cs1
InChIInChI=1S/C26H31N3O3S/c1-3-32-24-12-5-4-11-22(24)26-28-20(18-33-26)16-25(30)27-17-23(29-13-6-7-14-29)19-9-8-10-21(15-19)31-2/h4-5,8-12,15,18,23H,3,6-7,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyJHGJYQHQNFVUSY-UHFFFAOYSA-N
XLogP4.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34679200
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46446899
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047
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-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809737
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55610923

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 46540665) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)NCC(c2cccc(OC)c2)N2CCCC2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is JHGJYQHQNFVUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-3-32-24-12-5-4-11-22(24)26-28-20(18-33-26)16-25(30)27-17-23(29-13-6-7-14-29)19-9-8-10-21(15-19)31-2/h4-5,8-12,15,18,23H,3,6-7,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 465.62 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 46540665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).