2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C21H20F3N3O4S — CID 175663882

IUPAC2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN1C(C(=O)Nc2cccc(C)c2)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS1(=O)=O
InChIInChI=1S/C21H20F3N3O4S/c1-4-27-18(20(28)25-15-7-5-6-13(2)10-15)12-17(26-32(27,29)30)14-8-9-19(31-3)16(11-14)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,28)
InChIKeyXLIXXARLDVEIQX-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.91
Rot. Bonds5

About 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 175663882) has the molecular formula C21H20F3N3O4S and a molecular weight of 467.47 g/mol. Its IUPAC name is 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID175663882
Molecular FormulaC21H20F3N3O4S
Molecular Weight467.47 g/mol
Exact Mass467.11
IUPAC Name2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCCN1C(C(=O)Nc2cccc(C)c2)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS1(=O)=O
InChIInChI=1S/C21H20F3N3O4S/c1-4-27-18(20(28)25-15-7-5-6-13(2)10-15)12-17(26-32(27,29)30)14-8-9-19(31-3)16(11-14)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,28)
InChIKeyXLIXXARLDVEIQX-UHFFFAOYSA-N
XLogP3.91
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 156755406
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 158638522
5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid
CID 159261165
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108955782
2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 71078628
N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253765
N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592726
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 175663882) is 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CCN1C(C(=O)Nc2cccc(C)c2)=CC(c2ccc(OC)c(C(F)(F)F)c2)=NS1(=O)=O.
What is the InChIKey of 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is XLIXXARLDVEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4S/c1-4-27-18(20(28)25-15-7-5-6-13(2)10-15)12-17(26-32(27,29)30)14-8-9-19(31-3)16(11-14)21(22,23)24/h5-12H,4H2,1-3H3,(H,25,28).
What are the key properties of 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 467.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 175663882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).