2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide

C20H21N3O3S — CID 17253524

IUPAC2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)c3ccccc3)=C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-9-11-17(12-10-14)18-13-19(23(3)27(25,26)22-18)20(24)21-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,21,24)
InChIKeySFUUNGFMVNEYPD-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide

2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253524) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253524
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)c3ccccc3)=C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-9-11-17(12-10-14)18-13-19(23(3)27(25,26)22-18)20(24)21-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,21,24)
InChIKeySFUUNGFMVNEYPD-UHFFFAOYSA-N
XLogP2.74
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide (CID 17253524) is 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide is Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)c3ccccc3)=C2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is SFUUNGFMVNEYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-9-11-17(12-10-14)18-13-19(23(3)27(25,26)22-18)20(24)21-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,21,24).
What are the key properties of 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide?
2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N-(1-phenylethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).