N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C18H21N3O4S — CID 46598218

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H21N3O4S/c1-2-25-13-16-6-4-3-5-14(16)11-19-18(22)15-7-8-17-20-26(23,24)10-9-21(17)12-15/h3-8,12H,2,9-11,13H2,1H3,(H,19,22)
InChIKeyZMGOHSUAZILCFN-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.34
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 46598218) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID46598218
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H21N3O4S/c1-2-25-13-16-6-4-3-5-14(16)11-19-18(22)15-7-8-17-20-26(23,24)10-9-21(17)12-15/h3-8,12H,2,9-11,13H2,1H3,(H,19,22)
InChIKeyZMGOHSUAZILCFN-UHFFFAOYSA-N
XLogP1.34
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 46598218) is N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCOCc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is ZMGOHSUAZILCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-2-25-13-16-6-4-3-5-14(16)11-19-18(22)15-7-8-17-20-26(23,24)10-9-21(17)12-15/h3-8,12H,2,9-11,13H2,1H3,(H,19,22).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 46598218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).