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

C23H24N6O4S — CID 6416854

IUPACN-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide
SMILESCC(=O)Nc1nnc2c3cc(S(=O)(=O)N4CCCC4)ccc3n(CCOc3ccccc3)c2n1
InChIInChI=1S/C23H24N6O4S/c1-16(30)24-23-25-22-21(26-27-23)19-15-18(34(31,32)28-11-5-6-12-28)9-10-20(19)29(22)13-14-33-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,24,25,27,30)
InChIKeyJKDGXENUPXUEQM-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.80
Rot. Bonds7

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

N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide (PubChem CID 6416854) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide
PubChem CID6416854
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC NameN-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide
SMILESCC(=O)Nc1nnc2c3cc(S(=O)(=O)N4CCCC4)ccc3n(CCOc3ccccc3)c2n1
InChIInChI=1S/C23H24N6O4S/c1-16(30)24-23-25-22-21(26-27-23)19-15-18(34(31,32)28-11-5-6-12-28)9-10-20(19)29(22)13-14-33-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,24,25,27,30)
InChIKeyJKDGXENUPXUEQM-UHFFFAOYSA-N
XLogP2.80
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide 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-[8-morpholin-4-ylsulfonyl-5-(2-phenoxyethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide
CID 6416793
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-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417003
4-methoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416781
3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416907
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
3-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4955260
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
N-methyl-N-(3-phenoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 38580276

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide?
The IUPAC name of N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide (CID 6416854) is N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide.
What is the SMILES notation for N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide?
The canonical SMILES for N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide is CC(=O)Nc1nnc2c3cc(S(=O)(=O)N4CCCC4)ccc3n(CCOc3ccccc3)c2n1.
What is the InChIKey of N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide?
The InChIKey is JKDGXENUPXUEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-16(30)24-23-25-22-21(26-27-23)19-15-18(34(31,32)28-11-5-6-12-28)9-10-20(19)29(22)13-14-33-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,24,25,27,30).
What are the key properties of N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide?
N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide has a molecular weight of 480.55 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide is sourced from PubChem (CID 6416854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).