5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C20H21N3O6S — CID 17253733

IUPAC5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1
InChIInChI=1S/C20H21N3O6S/c1-23-17(20(24)21-14-6-8-15(27-2)9-7-14)12-16(22-30(23,25)26)13-5-10-18(28-3)19(11-13)29-4/h5-12H,1-4H3,(H,21,24)
InChIKeyZYBJXDCXXDQHMY-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.21
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253733) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253733
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1
InChIInChI=1S/C20H21N3O6S/c1-23-17(20(24)21-14-6-8-15(27-2)9-7-14)12-16(22-30(23,25)26)13-5-10-18(28-3)19(11-13)29-4/h5-12H,1-4H3,(H,21,24)
InChIKeyZYBJXDCXXDQHMY-UHFFFAOYSA-N
XLogP2.21
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253733) is 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is ZYBJXDCXXDQHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-23-17(20(24)21-14-6-8-15(27-2)9-7-14)12-16(22-30(23,25)26)13-5-10-18(28-3)19(11-13)29-4/h5-12H,1-4H3,(H,21,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).