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

C23H24N6O3S — CID 6416984

IUPACN-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2c2nnc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C23H24N6O3S/c1-2-29-19-12-11-17(33(31,32)28-13-7-4-8-14-28)15-18(19)20-21(29)24-23(27-26-20)25-22(30)16-9-5-3-6-10-16/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3,(H,24,25,27,30)
InChIKeyKMTIMVOXQLKOKE-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.43
Rot. Bonds5

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

N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416984) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416984
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2c2nnc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C23H24N6O3S/c1-2-29-19-12-11-17(33(31,32)28-13-7-4-8-14-28)15-18(19)20-21(29)24-23(27-26-20)25-22(30)16-9-5-3-6-10-16/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3,(H,24,25,27,30)
InChIKeyKMTIMVOXQLKOKE-UHFFFAOYSA-N
XLogP3.43
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-phenoxyethyl)-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl]acetamide
CID 6416854
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-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 17391703
1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2465145
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
6-(azepan-1-ylsulfonyl)-1-ethyl-3,1-benzoxazine-2,4-dione
CID 110677110
N-(benzimidazolo[1,2-c]quinazolin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5043489
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 41291104

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416984) is N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2c2nnc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is KMTIMVOXQLKOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-2-29-19-12-11-17(33(31,32)28-13-7-4-8-14-28)15-18(19)20-21(29)24-23(27-26-20)25-22(30)16-9-5-3-6-10-16/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3,(H,24,25,27,30).
What are the key properties of N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 464.55 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-8-piperidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).