5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C20H21N3O5S2 — CID 17253763

IUPAC5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)c1
InChIInChI=1S/C20H21N3O5S2/c1-23-17(20(24)21-15-7-5-6-8-19(15)29-4)12-16(22-30(23,25)26)14-11-13(27-2)9-10-18(14)28-3/h5-12H,1-4H3,(H,21,24)
InChIKeyUDLXTLMHASRURR-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.93
Rot. Bonds6

About 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253763) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253763
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC Name5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)c1
InChIInChI=1S/C20H21N3O5S2/c1-23-17(20(24)21-15-7-5-6-8-19(15)29-4)12-16(22-30(23,25)26)14-11-13(27-2)9-10-18(14)28-3/h5-12H,1-4H3,(H,21,24)
InChIKeyUDLXTLMHASRURR-UHFFFAOYSA-N
XLogP2.93
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253763) is 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is UDLXTLMHASRURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-23-17(20(24)21-15-7-5-6-8-19(15)29-4)12-16(22-30(23,25)26)14-11-13(27-2)9-10-18(14)28-3/h5-12H,1-4H3,(H,21,24).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).