4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

C22H22N6O5S — CID 6416781

IUPAC4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc3c4cc(S(=O)(=O)N5CCOCC5)ccc4n(C)c3n2)cc1
InChIInChI=1S/C22H22N6O5S/c1-27-18-8-7-16(34(30,31)28-9-11-33-12-10-28)13-17(18)19-20(27)23-22(26-25-19)24-21(29)14-3-5-15(32-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,23,24,26,29)
InChIKeyDCWAWNGQMKCYBY-UHFFFAOYSA-N
MW482.52 g/mol
LogP1.80
Rot. Bonds5

About 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416781) has the molecular formula C22H22N6O5S and a molecular weight of 482.52 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416781
Molecular FormulaC22H22N6O5S
Molecular Weight482.52 g/mol
Exact Mass482.14
IUPAC Name4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc3c4cc(S(=O)(=O)N5CCOCC5)ccc4n(C)c3n2)cc1
InChIInChI=1S/C22H22N6O5S/c1-27-18-8-7-16(34(30,31)28-9-11-33-12-10-28)13-17(18)19-20(27)23-22(26-25-19)24-21(29)14-3-5-15(32-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,23,24,26,29)
InChIKeyDCWAWNGQMKCYBY-UHFFFAOYSA-N
XLogP1.80
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416907
3,4-dimethoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417003
N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide
CID 6416793
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
1-(4-methoxyphenyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea
CID 1176488
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527597
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416781) is 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is COc1ccc(C(=O)Nc2nnc3c4cc(S(=O)(=O)N5CCOCC5)ccc4n(C)c3n2)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is DCWAWNGQMKCYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5S/c1-27-18-8-7-16(34(30,31)28-9-11-33-12-10-28)13-17(18)19-20(27)23-22(26-25-19)24-21(29)14-3-5-15(32-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,23,24,26,29).
What are the key properties of 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 482.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).