2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C25H24N2O6S — CID 20999920

IUPAC2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C25H24N2O6S/c1-13-8-17-19(9-14(13)2)33-23(16-6-7-18(30-4)20(10-16)31-5)24(22(17)29)32-11-21(28)27-25-26-15(3)12-34-25/h6-10,12H,11H2,1-5H3,(H,26,27,28)
InChIKeyUELJZSMRUJOMOX-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.88
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 20999920) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID20999920
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C25H24N2O6S/c1-13-8-17-19(9-14(13)2)33-23(16-6-7-18(30-4)20(10-16)31-5)24(22(17)29)32-11-21(28)27-25-26-15(3)12-34-25/h6-10,12H,11H2,1-5H3,(H,26,27,28)
InChIKeyUELJZSMRUJOMOX-UHFFFAOYSA-N
XLogP4.88
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999891
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20999901
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(1-phenylethyl)acetamide
CID 21001436
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 20999908
2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
CID 20999846
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
ethyl 2-[[2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 20999821
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20999802
methyl 2-[[2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 21001090

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 20999920) is 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(=O)Nc2nc(C)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is UELJZSMRUJOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-13-8-17-19(9-14(13)2)33-23(16-6-7-18(30-4)20(10-16)31-5)24(22(17)29)32-11-21(28)27-25-26-15(3)12-34-25/h6-10,12H,11H2,1-5H3,(H,26,27,28).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 480.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 20999920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).