2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

C20H20N2O5S — CID 71795680

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1sc(-c2ccco2)nc1C
InChIInChI=1S/C20H20N2O5S/c1-12-18(28-20(22-12)16-5-4-8-26-16)10-21-19(24)11-27-15-7-6-14(13(2)23)9-17(15)25-3/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyVYLLOTXYILDSKO-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.62
Rot. Bonds8

About 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 71795680) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID71795680
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1sc(-c2ccco2)nc1C
InChIInChI=1S/C20H20N2O5S/c1-12-18(28-20(22-12)16-5-4-8-26-16)10-21-19(24)11-27-15-7-6-14(13(2)23)9-17(15)25-3/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyVYLLOTXYILDSKO-UHFFFAOYSA-N
XLogP3.62
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795690
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121123828
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123831
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121123713
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121123620
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
CID 121123570

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (CID 71795680) is 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCc1sc(-c2ccco2)nc1C.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is VYLLOTXYILDSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-12-18(28-20(22-12)16-5-4-8-26-16)10-21-19(24)11-27-15-7-6-14(13(2)23)9-17(15)25-3/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 71795680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).