N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide

C16H19N3O3S — CID 20942033

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C16H19N3O3S/c20-16(17-11-10-12-6-2-1-3-7-12)15-18-13-8-4-5-9-14(13)23(21,22)19-15/h4-6,8-9H,1-3,7,10-11H2,(H,17,20)(H,18,19)
InChIKeyFGDJOQWYBILCMO-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 20942033) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID20942033
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C16H19N3O3S/c20-16(17-11-10-12-6-2-1-3-7-12)15-18-13-8-4-5-9-14(13)23(21,22)19-15/h4-6,8-9H,1-3,7,10-11H2,(H,17,20)(H,18,19)
InChIKeyFGDJOQWYBILCMO-UHFFFAOYSA-N
XLogP2.21
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide
CID 18591533
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694584
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392233
2-[(2-cyanoacetyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 168520690

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 20942033) is N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide is O=C(NCCC1=CCCCC1)C1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is FGDJOQWYBILCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-16(17-11-10-12-6-2-1-3-7-12)15-18-13-8-4-5-9-14(13)23(21,22)19-15/h4-6,8-9H,1-3,7,10-11H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 20942033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).