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

C20H21N3O5S2 — CID 17253725

IUPAC5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)cc1OC
InChIInChI=1S/C20H21N3O5S2/c1-23-16(20(24)21-14-7-5-6-8-19(14)29-4)12-15(22-30(23,25)26)13-9-10-17(27-2)18(11-13)28-3/h5-12H,1-4H3,(H,21,24)
InChIKeyGFUHQHMAXMCZIL-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.93
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253725) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253725
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC Name5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)cc1OC
InChIInChI=1S/C20H21N3O5S2/c1-23-16(20(24)21-14-7-5-6-8-19(14)29-4)12-15(22-30(23,25)26)13-9-10-17(27-2)18(11-13)28-3/h5-12H,1-4H3,(H,21,24)
InChIKeyGFUHQHMAXMCZIL-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

Analyze 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide with MolForge

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515237
5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 22515232
N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515239
5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
CID 17253671
5-(3,4-dimethoxyphenyl)-1,1-dioxo-2-propan-2-yl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,2,6-thiadiazine-3-carboxamide
CID 156635771
5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid
CID 159261165
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 158638522
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 160957019
N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253765
methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 135316727
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253725) is 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is GFUHQHMAXMCZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-23-16(20(24)21-14-7-5-6-8-19(14)29-4)12-15(22-30(23,25)26)13-9-10-17(27-2)18(11-13)28-3/h5-12H,1-4H3,(H,21,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
5-(3,4-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-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).