N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C21H24N2O4S — CID 46417790

IUPACN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-5-26-17-9-7-15(10-19(17)25-4)14(3)22-20(24)11-16-12-28-21(23-16)18-8-6-13(2)27-18/h6-10,12,14H,5,11H2,1-4H3,(H,22,24)
InChIKeyLYZZVRVEPRTMJT-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.54
Rot. Bonds8

About N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46417790) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID46417790
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-5-26-17-9-7-15(10-19(17)25-4)14(3)22-20(24)11-16-12-28-21(23-16)18-8-6-13(2)27-18/h6-10,12,14H,5,11H2,1-4H3,(H,22,24)
InChIKeyLYZZVRVEPRTMJT-UHFFFAOYSA-N
XLogP4.54
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46418276
N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606293
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 34447886
N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46456770
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55360928
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55785679
methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 96539571
methyl 2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 71854721
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39090413
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 46417790) is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(C(C)NC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1OC.
What is the InChIKey of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LYZZVRVEPRTMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-5-26-17-9-7-15(10-19(17)25-4)14(3)22-20(24)11-16-12-28-21(23-16)18-8-6-13(2)27-18/h6-10,12,14H,5,11H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46417790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).