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

C18H18N6O3S2 — CID 6416949

IUPACN-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(NC(=O)c4cccs4)nnc3c2c1
InChIInChI=1S/C18H18N6O3S2/c1-3-24(4-2)29(26,27)11-7-8-13-12(10-11)15-16(19-13)20-18(23-22-15)21-17(25)14-6-5-9-28-14/h5-10H,3-4H2,1-2H3,(H2,19,20,21,23,25)
InChIKeyQHKGOUMDVXJSJZ-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.85
Rot. Bonds6

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

N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide (PubChem CID 6416949) has the molecular formula C18H18N6O3S2 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide
PubChem CID6416949
Molecular FormulaC18H18N6O3S2
Molecular Weight430.52 g/mol
Exact Mass430.09
IUPAC NameN-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(NC(=O)c4cccs4)nnc3c2c1
InChIInChI=1S/C18H18N6O3S2/c1-3-24(4-2)29(26,27)11-7-8-13-12(10-11)15-16(19-13)20-18(23-22-15)21-17(25)14-6-5-9-28-14/h5-10H,3-4H2,1-2H3,(H2,19,20,21,23,25)
InChIKeyQHKGOUMDVXJSJZ-UHFFFAOYSA-N
XLogP2.85
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide
CID 6416838
N-tert-butyl-2-[[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
CID 23854335
N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide
CID 6417141
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356749
N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 2712341
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849550
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676949
4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
CID 6503203

Frequently Asked Questions

What is the IUPAC name of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide (CID 6416949) is N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(NC(=O)c4cccs4)nnc3c2c1.
What is the InChIKey of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is QHKGOUMDVXJSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S2/c1-3-24(4-2)29(26,27)11-7-8-13-12(10-11)15-16(19-13)20-18(23-22-15)21-17(25)14-6-5-9-28-14/h5-10H,3-4H2,1-2H3,(H2,19,20,21,23,25).
What are the key properties of N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide?
N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 2.85, 6 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]thiophene-2-carboxamide is sourced from PubChem (CID 6416949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).