N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide

C23H21N3O3S — CID 46354038

IUPACN-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c1
InChIInChI=1S/C23H21N3O3S/c1-16-12-13-17(2)20(14-16)24-22(27)15-26-25-23(18-8-4-3-5-9-18)19-10-6-7-11-21(19)30(26,28)29/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyAUXZMTZQWZUKDY-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.70
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide

N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide (PubChem CID 46354038) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide
PubChem CID46354038
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c1
InChIInChI=1S/C23H21N3O3S/c1-16-12-13-17(2)20(14-16)24-22(27)15-26-25-23(18-8-4-3-5-9-18)19-10-6-7-11-21(19)30(26,28)29/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyAUXZMTZQWZUKDY-UHFFFAOYSA-N
XLogP3.70
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide
CID 46354043
2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1λ6,2,3-benzothiadiazin-2-yl]-N-(2-methylphenyl)acetamide
CID 46354107
N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 995141
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46354063
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,5-dimethylphenyl)-3-[[5-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 17344257
N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953156

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide (CID 46354038) is N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide is Cc1ccc(C)c(NC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide?
The InChIKey is AUXZMTZQWZUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-16-12-13-17(2)20(14-16)24-22(27)15-26-25-23(18-8-4-3-5-9-18)19-10-6-7-11-21(19)30(26,28)29/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide is sourced from PubChem (CID 46354038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).