N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide

C21H22N6O4S — CID 6416838

IUPACN-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(NC(=O)c4ccc(OC)cc4)nnc3c2c1
InChIInChI=1S/C21H22N6O4S/c1-4-27(5-2)32(29,30)15-10-11-17-16(12-15)18-19(22-17)23-21(26-25-18)24-20(28)13-6-8-14(31-3)9-7-13/h6-12H,4-5H2,1-3H3,(H2,22,23,24,26,28)
InChIKeyZXJDNMYCKVHMIC-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.80
Rot. Bonds7

About N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide

N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide (PubChem CID 6416838) has the molecular formula C21H22N6O4S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide
PubChem CID6416838
Molecular FormulaC21H22N6O4S
Molecular Weight454.51 g/mol
Exact Mass454.14
IUPAC NameN-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(NC(=O)c4ccc(OC)cc4)nnc3c2c1
InChIInChI=1S/C21H22N6O4S/c1-4-27(5-2)32(29,30)15-10-11-17-16(12-15)18-19(22-17)23-21(26-25-18)24-20(28)13-6-8-14(31-3)9-7-13/h6-12H,4-5H2,1-3H3,(H2,22,23,24,26,28)
InChIKeyZXJDNMYCKVHMIC-UHFFFAOYSA-N
XLogP2.80
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide with MolForge

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Related Compounds

N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide
CID 6416949
N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide
CID 6417141
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416835
N-tert-butyl-2-[[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
CID 23854335
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22517567
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849550
4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867195
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675

Frequently Asked Questions

What is the IUPAC name of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide (CID 6416838) is N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(NC(=O)c4ccc(OC)cc4)nnc3c2c1.
What is the InChIKey of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide?
The InChIKey is ZXJDNMYCKVHMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4S/c1-4-27(5-2)32(29,30)15-10-11-17-16(12-15)18-19(22-17)23-21(26-25-18)24-20(28)13-6-8-14(31-3)9-7-13/h6-12H,4-5H2,1-3H3,(H2,22,23,24,26,28).
What are the key properties of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide?
N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide has a molecular weight of 454.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 6416838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).