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

C23H26N6O5S — CID 6417141

IUPACN-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c1nnc(NC(=O)c3ccc(OC)c(OC)c3)nc1n2C
InChIInChI=1S/C23H26N6O5S/c1-6-29(7-2)35(31,32)15-9-10-17-16(13-15)20-21(28(17)3)24-23(27-26-20)25-22(30)14-8-11-18(33-4)19(12-14)34-5/h8-13H,6-7H2,1-5H3,(H,24,25,27,30)
InChIKeyGFDOVQLMFWJEIP-UHFFFAOYSA-N
MW498.57 g/mol
LogP2.82
Rot. Bonds8

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

N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide (PubChem CID 6417141) has the molecular formula C23H26N6O5S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide
PubChem CID6417141
Molecular FormulaC23H26N6O5S
Molecular Weight498.57 g/mol
Exact Mass498.17
IUPAC NameN-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c1nnc(NC(=O)c3ccc(OC)c(OC)c3)nc1n2C
InChIInChI=1S/C23H26N6O5S/c1-6-29(7-2)35(31,32)15-9-10-17-16(13-15)20-21(28(17)3)24-23(27-26-20)25-22(30)14-8-11-18(33-4)19(12-14)34-5/h8-13H,6-7H2,1-5H3,(H,24,25,27,30)
InChIKeyGFDOVQLMFWJEIP-UHFFFAOYSA-N
XLogP2.82
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4-dimethoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417003
3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416907
N-[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]-4-methoxybenzamide
CID 6416838
N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide
CID 6416975
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
3-[[1-(3,4-dimethoxyphenyl)ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2692154
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 1011816
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201

Frequently Asked Questions

What is the IUPAC name of N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide (CID 6417141) is N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)c1nnc(NC(=O)c3ccc(OC)c(OC)c3)nc1n2C.
What is the InChIKey of N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is GFDOVQLMFWJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5S/c1-6-29(7-2)35(31,32)15-9-10-17-16(13-15)20-21(28(17)3)24-23(27-26-20)25-22(30)14-8-11-18(33-4)19(12-14)34-5/h8-13H,6-7H2,1-5H3,(H,24,25,27,30).
What are the key properties of N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide?
N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 498.57 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6417141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).