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

C16H23N3O3S — CID 5234132

IUPAC4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C16H23N3O3S/c1-12(2)10-11-17-16(20)9-5-8-15-18-13-6-3-4-7-14(13)23(21,22)19-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOUNXSNMMJZPTQG-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.53
Rot. Bonds7

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

4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide (PubChem CID 5234132) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide
PubChem CID5234132
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C16H23N3O3S/c1-12(2)10-11-17-16(20)9-5-8-15-18-13-6-3-4-7-14(13)23(21,22)19-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOUNXSNMMJZPTQG-UHFFFAOYSA-N
XLogP2.53
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide?
The IUPAC name of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide (CID 5234132) is 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide?
The canonical SMILES for 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide?
The InChIKey is OUNXSNMMJZPTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(2)10-11-17-16(20)9-5-8-15-18-13-6-3-4-7-14(13)23(21,22)19-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide?
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylbutyl)butanamide has a molecular weight of 337.44 g/mol, XLogP of 2.53, 7 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-methylbutyl)butanamide is sourced from PubChem (CID 5234132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).