2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H19N5O3S2 — CID 16824588

IUPAC2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCCN1C(SCC(=O)Nc2cc(C)[nH]n2)=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H19N5O3S2/c1-3-8-21-12-6-4-5-7-13(12)26(23,24)20-16(21)25-10-15(22)17-14-9-11(2)18-19-14/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,22)
InChIKeyAYBCEQQOIUXRGH-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.36
Rot. Bonds5

About 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 16824588) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID16824588
Molecular FormulaC16H19N5O3S2
Molecular Weight393.49 g/mol
Exact Mass393.09
IUPAC Name2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCCN1C(SCC(=O)Nc2cc(C)[nH]n2)=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H19N5O3S2/c1-3-8-21-12-6-4-5-7-13(12)26(23,24)20-16(21)25-10-15(22)17-14-9-11(2)18-19-14/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,22)
InChIKeyAYBCEQQOIUXRGH-UHFFFAOYSA-N
XLogP2.36
TPSA107.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 22589091
N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxo-4-propyl-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18591666
2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 16804723
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
N-(4-chlorophenyl)-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 22589413
2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide
CID 22589263
2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 18591986
ethyl 4-[[2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 22589335
3-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 46369423
2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40814476
methyl 3-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanylmethyl]-4-methoxybenzoate
CID 16956410

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 16824588) is 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is CCCN1C(SCC(=O)Nc2cc(C)[nH]n2)=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is AYBCEQQOIUXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c1-3-8-21-12-6-4-5-7-13(12)26(23,24)20-16(21)25-10-15(22)17-14-9-11(2)18-19-14/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 16824588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).