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

C19H21N3O3S — CID 15999421

IUPAC4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-14(15-8-3-2-4-9-15)20-19(23)13-7-12-18-21-16-10-5-6-11-17(16)26(24,25)22-18/h2-6,8-11,14H,7,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyFGUNXPMHQUSKOX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.25
Rot. Bonds6

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

4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide (PubChem CID 15999421) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide
PubChem CID15999421
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-14(15-8-3-2-4-9-15)20-19(23)13-7-12-18-21-16-10-5-6-11-17(16)26(24,25)22-18/h2-6,8-11,14H,7,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyFGUNXPMHQUSKOX-UHFFFAOYSA-N
XLogP3.25
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.25
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-(1-phenylethyl)butanamide?
The IUPAC name of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide (CID 15999421) is 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide is CC(NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1.
What is the InChIKey of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide?
The InChIKey is FGUNXPMHQUSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(15-8-3-2-4-9-15)20-19(23)13-7-12-18-21-16-10-5-6-11-17(16)26(24,25)22-18/h2-6,8-11,14H,7,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide?
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(1-phenylethyl)butanamide has a molecular weight of 371.46 g/mol, XLogP of 3.25, 6 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-(1-phenylethyl)butanamide is sourced from PubChem (CID 15999421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).