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

C21H21N3O6S — CID 17253765

IUPACN-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(C)=O)c3)=C2)c1
InChIInChI=1S/C21H21N3O6S/c1-13(25)14-6-5-7-15(10-14)22-21(26)19-12-18(23-31(27,28)24(19)2)17-11-16(29-3)8-9-20(17)30-4/h5-12H,1-4H3,(H,22,26)
InChIKeyBILLDIBIZYUMMO-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.41
Rot. Bonds6

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

N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253765) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253765
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC NameN-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(C)=O)c3)=C2)c1
InChIInChI=1S/C21H21N3O6S/c1-13(25)14-6-5-7-15(10-14)22-21(26)19-12-18(23-31(27,28)24(19)2)17-11-16(29-3)8-9-20(17)30-4/h5-12H,1-4H3,(H,22,26)
InChIKeyBILLDIBIZYUMMO-UHFFFAOYSA-N
XLogP2.41
TPSA114.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-N-propan-2-yl-1,2,6-thiadiazine-3-carboxamide
CID 17253671
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CID 109057624
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
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5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200228
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
N-(3-acetylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610807

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253765) is N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(C)=O)c3)=C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is BILLDIBIZYUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-13(25)14-6-5-7-15(10-14)22-21(26)19-12-18(23-31(27,28)24(19)2)17-11-16(29-3)8-9-20(17)30-4/h5-12H,1-4H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).