4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide

C22H25N5O4S — CID 43048051

IUPAC4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1
InChIInChI=1S/C22H25N5O4S/c1-16(28)17-6-8-19(9-7-17)32(30,31)25(2)15-21(29)26-13-10-18(11-14-26)22-24-23-20-5-3-4-12-27(20)22/h3-9,12,18H,10-11,13-15H2,1-2H3
InChIKeyBXIICDRKBNKHGQ-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.96
Rot. Bonds6

About 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide

4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 43048051) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID43048051
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1
InChIInChI=1S/C22H25N5O4S/c1-16(28)17-6-8-19(9-7-17)32(30,31)25(2)15-21(29)26-13-10-18(11-14-26)22-24-23-20-5-3-4-12-27(20)22/h3-9,12,18H,10-11,13-15H2,1-2H3
InChIKeyBXIICDRKBNKHGQ-UHFFFAOYSA-N
XLogP1.96
TPSA104.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetyl-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55533721
N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 35900064
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
(4-nitrophenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897188
3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 118790726
6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one
CID 127254735
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide (CID 43048051) is 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is BXIICDRKBNKHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-16(28)17-6-8-19(9-7-17)32(30,31)25(2)15-21(29)26-13-10-18(11-14-26)22-24-23-20-5-3-4-12-27(20)22/h3-9,12,18H,10-11,13-15H2,1-2H3.
What are the key properties of 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide?
4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 455.54 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 43048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).