N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide

C17H17N3O3S2 — CID 17253826

IUPACN-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C
InChIInChI=1S/C17H17N3O3S2/c1-3-12-7-4-5-8-13(12)18-17(21)15-11-14(16-9-6-10-24-16)19-25(22,23)20(15)2/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyGXUHYVMKSOTEOX-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.81
Rot. Bonds4

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

N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253826) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253826
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C
InChIInChI=1S/C17H17N3O3S2/c1-3-12-7-4-5-8-13(12)18-17(21)15-11-14(16-9-6-10-24-16)19-25(22,23)20(15)2/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyGXUHYVMKSOTEOX-UHFFFAOYSA-N
XLogP2.81
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-Dimethyl-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499073
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 2487215
N~1~-(3-ethylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 4318849
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 5992919
7-Fluoro-5-thiophen-2-yl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 10467784
N-(4-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 16017236
1,1-diketo-2-methyl-N-(p-tolyl)-5-(2-thienyl)-1,2,6-thiadiazine-3-carboxamide
CID 16017256
(2-methyl-1,1-dioxo-5-(2-thienyl)(1,2,6-thiadiazin-3-yl))-N-(2-methylthiopheny l)carboxamide
CID 17253827
N-(2,3-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926904
N-(2,6-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926905
1,1-diketo-2-methyl-N-[2-(methylthio)phenyl]-5-(p-tolyl)-1,2,6-thiadiazine-3-carboxamide
CID 22515167

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide (CID 17253826) is N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide is CCc1ccccc1NC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is GXUHYVMKSOTEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-3-12-7-4-5-8-13(12)18-17(21)15-11-14(16-9-6-10-24-16)19-25(22,23)20(15)2/h4-11H,3H2,1-2H3,(H,18,21).
What are the key properties of N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).