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

C28H26N6O5S — CID 6416793

IUPACN-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide
SMILESO=C(Nc1nnc2c3cc(S(=O)(=O)N4CCOCC4)ccc3n(CCOc3ccccc3)c2n1)c1ccccc1
InChIInChI=1S/C28H26N6O5S/c35-27(20-7-3-1-4-8-20)30-28-29-26-25(31-32-28)23-19-22(40(36,37)33-13-16-38-17-14-33)11-12-24(23)34(26)15-18-39-21-9-5-2-6-10-21/h1-12,19H,13-18H2,(H,29,30,32,35)
InChIKeyYTERUTWKYBXAAO-UHFFFAOYSA-N
MW558.62 g/mol
LogP3.33
Rot. Bonds8

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

N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide (PubChem CID 6416793) has the molecular formula C28H26N6O5S and a molecular weight of 558.62 g/mol. Its IUPAC name is N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide.

Molecular Properties

Compound NameN-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide
PubChem CID6416793
Molecular FormulaC28H26N6O5S
Molecular Weight558.62 g/mol
Exact Mass558.17
IUPAC NameN-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide
SMILESO=C(Nc1nnc2c3cc(S(=O)(=O)N4CCOCC4)ccc3n(CCOc3ccccc3)c2n1)c1ccccc1
InChIInChI=1S/C28H26N6O5S/c35-27(20-7-3-1-4-8-20)30-28-29-26-25(31-32-28)23-19-22(40(36,37)33-13-16-38-17-14-33)11-12-24(23)34(26)15-18-39-21-9-5-2-6-10-21/h1-12,19H,13-18H2,(H,29,30,32,35)
InChIKeyYTERUTWKYBXAAO-UHFFFAOYSA-N
XLogP3.33
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide
CID 6416854
4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416781
N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416984
3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416907
N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
CID 17134329
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865
N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
CID 5064670
N-(1-benzyl-1,2,4-triazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 55856658
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134651
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267

Frequently Asked Questions

What is the IUPAC name of N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide?
The IUPAC name of N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide (CID 6416793) is N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide.
What is the SMILES notation for N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide?
The canonical SMILES for N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide is O=C(Nc1nnc2c3cc(S(=O)(=O)N4CCOCC4)ccc3n(CCOc3ccccc3)c2n1)c1ccccc1.
What is the InChIKey of N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide?
The InChIKey is YTERUTWKYBXAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O5S/c35-27(20-7-3-1-4-8-20)30-28-29-26-25(31-32-28)23-19-22(40(36,37)33-13-16-38-17-14-33)11-12-24(23)34(26)15-18-39-21-9-5-2-6-10-21/h1-12,19H,13-18H2,(H,29,30,32,35).
What are the key properties of N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide?
N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide has a molecular weight of 558.62 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide is sourced from PubChem (CID 6416793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).