N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C17H19N3O3S — CID 26661166

IUPACN-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccccc1CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H19N3O3S/c1-13-4-2-3-5-14(13)8-9-18-17(21)15-6-7-16-19-24(22,23)11-10-20(16)12-15/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyXIQWGGXORBVNLV-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 26661166) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID26661166
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccccc1CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H19N3O3S/c1-13-4-2-3-5-14(13)8-9-18-17(21)15-6-7-16-19-24(22,23)11-10-20(16)12-15/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyXIQWGGXORBVNLV-UHFFFAOYSA-N
XLogP1.15
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 26661166) is N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is Cc1ccccc1CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is XIQWGGXORBVNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-4-2-3-5-14(13)8-9-18-17(21)15-6-7-16-19-24(22,23)11-10-20(16)12-15/h2-7,12H,8-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 26661166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).