N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide

C20H18N6O4S2 — CID 25049190

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1
InChIInChI=1S/C20H18N6O4S2/c1-11(19(28)21-13-7-9-14(10-8-13)32(29,30)26-12(2)27)31-20-23-18-17(24-25-20)15-5-3-4-6-16(15)22-18/h3-11H,1-2H3,(H,21,28)(H,26,27)(H,22,23,25)
InChIKeyMBXLFYVFPUWKAL-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.45
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide

N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide (PubChem CID 25049190) has the molecular formula C20H18N6O4S2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
PubChem CID25049190
Molecular FormulaC20H18N6O4S2
Molecular Weight470.54 g/mol
Exact Mass470.08
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1
InChIInChI=1S/C20H18N6O4S2/c1-11(19(28)21-13-7-9-14(10-8-13)32(29,30)26-12(2)27)31-20-23-18-17(24-25-20)15-5-3-4-6-16(15)22-18/h3-11H,1-2H3,(H,21,28)(H,26,27)(H,22,23,25)
InChIKeyMBXLFYVFPUWKAL-UHFFFAOYSA-N
XLogP2.45
TPSA146.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide with MolForge

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Related Compounds

N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 25035615
N-pyridin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23998335
(2R)-N-(4-ethylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 8916421
N-(3,5-dimethoxyphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23858747
N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide
CID 25043673
(2R)-N-(4-acetamidophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
CID 51389170
N-benzhydryl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 43816909
ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoate
CID 19204589
N-pyridin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
CID 23858565
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23914760
N-[4-[(2S)-butan-2-yl]phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 8917167
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23772457

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide (CID 25049190) is N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide?
The InChIKey is MBXLFYVFPUWKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4S2/c1-11(19(28)21-13-7-9-14(10-8-13)32(29,30)26-12(2)27)31-20-23-18-17(24-25-20)15-5-3-4-6-16(15)22-18/h3-11H,1-2H3,(H,21,28)(H,26,27)(H,22,23,25).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide has a molecular weight of 470.54 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide is sourced from PubChem (CID 25049190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).