2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide

C17H17N3O3S2 — CID 7192025

IUPAC2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1)NCCc1ccccc1
InChIInChI=1S/C17H17N3O3S2/c21-16(18-11-10-13-6-2-1-3-7-13)12-24-17-19-14-8-4-5-9-15(14)25(22,23)20-17/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyOMAIFGVJDUCDOI-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.25
Rot. Bonds5

About 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide

2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 7192025) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID7192025
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1)NCCc1ccccc1
InChIInChI=1S/C17H17N3O3S2/c21-16(18-11-10-13-6-2-1-3-7-13)12-24-17-19-14-8-4-5-9-15(14)25(22,23)20-17/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyOMAIFGVJDUCDOI-UHFFFAOYSA-N
XLogP2.25
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 7192025) is 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NCCc1ccccc1.
What is the InChIKey of 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is OMAIFGVJDUCDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c21-16(18-11-10-13-6-2-1-3-7-13)12-24-17-19-14-8-4-5-9-15(14)25(22,23)20-17/h1-9H,10-12H2,(H,18,21)(H,19,20).
What are the key properties of 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7192025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).