ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate

C16H19N3O6S — CID 154883896

IUPACethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CN(CC(=O)Nc2ccccc2OC)S(=O)(=O)N=C1C
InChIInChI=1S/C16H19N3O6S/c1-4-25-16(21)12-9-19(26(22,23)18-11(12)2)10-15(20)17-13-7-5-6-8-14(13)24-3/h5-9H,4,10H2,1-3H3,(H,17,20)
InChIKeyHBONCSHDWRYGCW-UHFFFAOYSA-N
MW381.41 g/mol
LogP1.10
Rot. Bonds6

About ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate

ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate (PubChem CID 154883896) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
PubChem CID154883896
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Nameethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CN(CC(=O)Nc2ccccc2OC)S(=O)(=O)N=C1C
InChIInChI=1S/C16H19N3O6S/c1-4-25-16(21)12-9-19(26(22,23)18-11(12)2)10-15(20)17-13-7-5-6-8-14(13)24-3/h5-9H,4,10H2,1-3H3,(H,17,20)
InChIKeyHBONCSHDWRYGCW-UHFFFAOYSA-N
XLogP1.10
TPSA114.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[2-(2-ethylanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
CID 91906645
ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352859
2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
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N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366120
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 6626159
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
The IUPAC name of ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate (CID 154883896) is ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate is CCOC(=O)C1=CN(CC(=O)Nc2ccccc2OC)S(=O)(=O)N=C1C.
What is the InChIKey of ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
The InChIKey is HBONCSHDWRYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-4-25-16(21)12-9-19(26(22,23)18-11(12)2)10-15(20)17-13-7-5-6-8-14(13)24-3/h5-9H,4,10H2,1-3H3,(H,17,20).
What are the key properties of ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate?
ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate is sourced from PubChem (CID 154883896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).