4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide

C18H19N3O3S — CID 22588518

IUPAC4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)c1
InChIInChI=1S/C18H19N3O3S/c1-13-6-4-7-14(12-13)19-18(22)11-5-10-17-20-15-8-2-3-9-16(15)25(23,24)21-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyFURDQCGKOSDNML-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.32
Rot. Bonds5

About 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide

4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide (PubChem CID 22588518) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide
PubChem CID22588518
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)c1
InChIInChI=1S/C18H19N3O3S/c1-13-6-4-7-14(12-13)19-18(22)11-5-10-17-20-15-8-2-3-9-16(15)25(23,24)21-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyFURDQCGKOSDNML-UHFFFAOYSA-N
XLogP3.32
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide with MolForge

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Related Compounds

2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 16823433
4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-N-(3-methoxypropyl)butanamide
CID 15996356
N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 22588773
N-(3,5-dimethylphenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18579957
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 22588521
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(2-methylpropyl)propanamide
CID 20921954
(3R)-N-(3,4-difluorophenyl)-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
CID 92715069
3-(2-chloroethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 3532338
2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetic acid
CID 43352223
N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 50790598
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 46279820

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide (CID 22588518) is 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)c1.
What is the InChIKey of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide?
The InChIKey is FURDQCGKOSDNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-6-4-7-14(12-13)19-18(22)11-5-10-17-20-15-8-2-3-9-16(15)25(23,24)21-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide?
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide has a molecular weight of 357.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 22588518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).