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

C18H19N3O5S2 — CID 17253741

IUPAC5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccs3)=C2)cc1OC
InChIInChI=1S/C18H19N3O5S2/c1-21-15(18(22)19-11-13-5-4-8-27-13)10-14(20-28(21,23)24)12-6-7-16(25-2)17(9-12)26-3/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyPLSXHGRFOPYXQO-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.94
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253741) has the molecular formula C18H19N3O5S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253741
Molecular FormulaC18H19N3O5S2
Molecular Weight421.50 g/mol
Exact Mass421.08
IUPAC Name5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccs3)=C2)cc1OC
InChIInChI=1S/C18H19N3O5S2/c1-21-15(18(22)19-11-13-5-4-8-27-13)10-14(20-28(21,23)24)12-6-7-16(25-2)17(9-12)26-3/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyPLSXHGRFOPYXQO-UHFFFAOYSA-N
XLogP1.94
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.94
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)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (CID 17253741) is 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccs3)=C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is PLSXHGRFOPYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S2/c1-21-15(18(22)19-11-13-5-4-8-27-13)10-14(20-28(21,23)24)12-6-7-16(25-2)17(9-12)26-3/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 1.94, 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)-2-methyl-1,1-dioxo-N-(thiophen-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).