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

C19H15N5O4S — CID 136755520

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-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)c1cc2ccccc2o1
InChIInChI=1S/C19H15N5O4S/c1-11(15-10-12-6-2-4-8-14(12)28-15)20-18(25)17-21-19-23-29(26,27)16-9-5-3-7-13(16)24(19)22-17/h2-11H,1H3,(H,20,25)(H,21,22,23)/t11-/m1/s1
InChIKeyOBYLTHNDZWOEPP-LLVKDONJSA-N
MW409.43 g/mol
LogP2.62
Rot. Bonds3

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

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide (PubChem CID 136755520) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide
PubChem CID136755520
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-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)c1cc2ccccc2o1
InChIInChI=1S/C19H15N5O4S/c1-11(15-10-12-6-2-4-8-14(12)28-15)20-18(25)17-21-19-23-29(26,27)16-9-5-3-7-13(16)24(19)22-17/h2-11H,1H3,(H,20,25)(H,21,22,23)/t11-/m1/s1
InChIKeyOBYLTHNDZWOEPP-LLVKDONJSA-N
XLogP2.62
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26207097
N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46584396
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 46438047
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46653482
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide (CID 136755520) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-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)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
The InChIKey is OBYLTHNDZWOEPP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15N5O4S/c1-11(15-10-12-6-2-4-8-14(12)28-15)20-18(25)17-21-19-23-29(26,27)16-9-5-3-7-13(16)24(19)22-17/h2-11H,1H3,(H,20,25)(H,21,22,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-2-carboxamide is sourced from PubChem (CID 136755520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).