5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide

C19H16N6O5S — CID 136877619

IUPAC5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H16N6O5S/c1-10(11-6-7-14-12(8-11)21-16(26)9-30-14)20-18(27)17-22-19-24-31(28,29)15-5-3-2-4-13(15)25(19)23-17/h2-8,10H,9H2,1H3,(H,20,27)(H,21,26)(H,22,23,24)/t10-/m1/s1
InChIKeyUHPITGYTORXRME-SNVBAGLBSA-N
MW440.44 g/mol
LogP1.20
Rot. Bonds3

About 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide

5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide (PubChem CID 136877619) has the molecular formula C19H16N6O5S and a molecular weight of 440.44 g/mol. Its IUPAC name is 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide.

Molecular Properties

Compound Name5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
PubChem CID136877619
Molecular FormulaC19H16N6O5S
Molecular Weight440.44 g/mol
Exact Mass440.09
IUPAC Name5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H16N6O5S/c1-10(11-6-7-14-12(8-11)21-16(26)9-30-14)20-18(27)17-22-19-24-31(28,29)15-5-3-2-4-13(15)25(19)23-17/h2-8,10H,9H2,1H3,(H,20,27)(H,21,26)(H,22,23,24)/t10-/m1/s1
InChIKeyUHPITGYTORXRME-SNVBAGLBSA-N
XLogP1.20
TPSA144.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
1-(2,4-difluorophenyl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazole-3-carboxamide
CID 124617837
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94163839
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43063607
(2S)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94145915
4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 38585765
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 55670018
3-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 17449790
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]ethylurea
CID 83110297

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The IUPAC name of 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide (CID 136877619) is 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide.
What is the SMILES notation for 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The canonical SMILES for 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide is C[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The InChIKey is UHPITGYTORXRME-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H16N6O5S/c1-10(11-6-7-14-12(8-11)21-16(26)9-30-14)20-18(27)17-22-19-24-31(28,29)15-5-3-2-4-13(15)25(19)23-17/h2-8,10H,9H2,1H3,(H,20,27)(H,21,26)(H,22,23,24)/t10-/m1/s1.
What are the key properties of 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide has a molecular weight of 440.44 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide is sourced from PubChem (CID 136877619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).