2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide

C22H19N3O3S2 — CID 22589263

IUPAC2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H19N3O3S2/c26-21(23-18-11-5-2-6-12-18)16-29-22-24-30(27,28)20-14-8-7-13-19(20)25(22)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,26)
InChIKeyUKBCYFVHEOUENF-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.12
Rot. Bonds5

About 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide

2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 22589263) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID22589263
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC Name2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H19N3O3S2/c26-21(23-18-11-5-2-6-12-18)16-29-22-24-30(27,28)20-14-8-7-13-19(20)25(22)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,26)
InChIKeyUKBCYFVHEOUENF-UHFFFAOYSA-N
XLogP4.12
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 22589335
2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
CID 22589283
2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40814476
N-(4-chlorophenyl)-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 22589413
2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 22589091
4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 22589240
4-benzyl-3-[(4-nitrophenyl)methylsulfanyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 46369448
2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 16804723
2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 16824588
ethyl 2-[[2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 16956394
2-[(1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 22589041
2-benzylsulfanyl-N-phenylacetamide
CID 584914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide (CID 22589263) is 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide is O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is UKBCYFVHEOUENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c26-21(23-18-11-5-2-6-12-18)16-29-22-24-30(27,28)20-14-8-7-13-19(20)25(22)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,26).
What are the key properties of 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 437.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 22589263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).