N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

C17H23N3O3S2 — CID 22589374

IUPACN-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
SMILESCCN1C(SCC(=O)NC2CCCCC2)=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H23N3O3S2/c1-2-20-14-10-6-7-11-15(14)25(22,23)19-17(20)24-12-16(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,21)
InChIKeyMUQUWGPVLLXZBJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.75
Rot. Bonds4

About N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide (PubChem CID 22589374) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
PubChem CID22589374
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
SMILESCCN1C(SCC(=O)NC2CCCCC2)=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H23N3O3S2/c1-2-20-14-10-6-7-11-15(14)25(22,23)19-17(20)24-12-16(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,21)
InChIKeyMUQUWGPVLLXZBJ-UHFFFAOYSA-N
XLogP2.75
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 8669476
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
2-[(1,1-dioxo-4-propyl-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 16824588
N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589072
N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591837
2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
CID 22589283
2-[(4-butyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 18591986
N-cyclopentyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 7795637
N-cyclooctyl-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41425166
N-cyclohexyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2986131
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
N-cyclohexyl-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 137058553

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide (CID 22589374) is N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide is CCN1C(SCC(=O)NC2CCCCC2)=NS(=O)(=O)c2ccccc21.
What is the InChIKey of N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
The InChIKey is MUQUWGPVLLXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-2-20-14-10-6-7-11-15(14)25(22,23)19-17(20)24-12-16(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 22589374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).