6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C24H24ClN3O3S — CID 24873452

IUPAC6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESO=C(NC12CCC(CC1)C2)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1
InChIInChI=1S/C24H24ClN3O3S/c25-20-8-6-19(7-9-20)22-14-21(23(29)26-24-12-10-17(15-24)11-13-24)27-32(30,31)28(22)16-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2,(H,26,29)
InChIKeyLUJZXJWCPDVGDP-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.33
Rot. Bonds5

About 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 24873452) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID24873452
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESO=C(NC12CCC(CC1)C2)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1
InChIInChI=1S/C24H24ClN3O3S/c25-20-8-6-19(7-9-20)22-14-21(23(29)26-24-12-10-17(15-24)11-13-24)27-32(30,31)28(22)16-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2,(H,26,29)
InChIKeyLUJZXJWCPDVGDP-UHFFFAOYSA-N
XLogP4.33
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide with MolForge

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Related Compounds

6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide
CID 16666297
N-(1-bicyclo[2.2.1]heptanyl)-2-sulfanylbenzamide
CID 90825858
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
3,4-bis(1-bicyclo[2.2.1]heptanylcarbamoyl)phthalic acid
CID 70176185
1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 46899281
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
CID 9032255
phenyl N-(1-bicyclo[2.2.2]octanyl)carbamate
CID 170173348
2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 134008263
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 24873452) is 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is O=C(NC12CCC(CC1)C2)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1.
What is the InChIKey of 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is LUJZXJWCPDVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-20-8-6-19(7-9-20)22-14-21(23(29)26-24-12-10-17(15-24)11-13-24)27-32(30,31)28(22)16-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2,(H,26,29).
What are the key properties of 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 24873452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).