5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

C17H21N3O5S — CID 17253571

IUPAC5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCC3CCCO3)=C2)cc1
InChIInChI=1S/C17H21N3O5S/c1-20-16(17(21)18-11-14-4-3-9-25-14)10-15(19-26(20,22)23)12-5-7-13(24-2)8-6-12/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,18,21)
InChIKeyXDMSZISVWTXKNS-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.85
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253571) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253571
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCC3CCCO3)=C2)cc1
InChIInChI=1S/C17H21N3O5S/c1-20-16(17(21)18-11-14-4-3-9-25-14)10-15(19-26(20,22)23)12-5-7-13(24-2)8-6-12/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,18,21)
InChIKeyXDMSZISVWTXKNS-UHFFFAOYSA-N
XLogP0.85
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide with MolForge

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Related Compounds

4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42820183
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
CID 806255
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
1-(4-methoxyphenyl)-6-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91945572
1-(4-methoxyphenyl)-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 97465078

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (CID 17253571) is 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCC3CCCO3)=C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is XDMSZISVWTXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-20-16(17(21)18-11-14-4-3-9-25-14)10-15(19-26(20,22)23)12-5-7-13(24-2)8-6-12/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,18,21).
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).