5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide

C17H17N3O4S — CID 22515303

IUPAC5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCC(NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C)c1ccccc1
InChIInChI=1S/C17H17N3O4S/c1-12(13-7-4-3-5-8-13)18-17(21)15-11-14(16-9-6-10-24-16)19-25(22,23)20(15)2/h3-12H,1-2H3,(H,18,21)
InChIKeySVLMPPHQBBGLCU-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.02
Rot. Bonds4

About 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide

5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515303) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515303
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCC(NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C)c1ccccc1
InChIInChI=1S/C17H17N3O4S/c1-12(13-7-4-3-5-8-13)18-17(21)15-11-14(16-9-6-10-24-16)19-25(22,23)20(15)2/h3-12H,1-2H3,(H,18,21)
InChIKeySVLMPPHQBBGLCU-UHFFFAOYSA-N
XLogP2.02
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide (CID 22515303) is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide is CC(NC(=O)C1=CC(c2ccco2)=NS(=O)(=O)N1C)c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is SVLMPPHQBBGLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12(13-7-4-3-5-8-13)18-17(21)15-11-14(16-9-6-10-24-16)19-25(22,23)20(15)2/h3-12H,1-2H3,(H,18,21).
What are the key properties of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).