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

C22H24N2O3S — CID 16591047

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(OC)cc2)cs1
InChIInChI=1S/C22H24N2O3S/c1-3-27-20-7-5-4-6-19(20)22-24-17(15-28-22)14-21(25)23-13-12-16-8-10-18(26-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyJPQSQHVOPHBRME-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.12
Rot. Bonds9

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

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 16591047) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID16591047
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(OC)cc2)cs1
InChIInChI=1S/C22H24N2O3S/c1-3-27-20-7-5-4-6-19(20)22-24-17(15-28-22)14-21(25)23-13-12-16-8-10-18(26-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyJPQSQHVOPHBRME-UHFFFAOYSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16601830
methyl 4-[[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 55485977
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 56524256
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-nitrophenyl)methyl]acetamide
CID 55900515
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46540665
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 18138820
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 17442017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 16591047) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(OC)cc2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is JPQSQHVOPHBRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-3-27-20-7-5-4-6-19(20)22-24-17(15-28-22)14-21(25)23-13-12-16-8-10-18(26-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.12, 9 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-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 16591047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).