N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C19H21N5O3S2 — CID 2622748

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21N5O3S2/c25-18(14-28-19-22-21-17-6-2-5-13-24(17)19)20-15-7-9-16(10-8-15)29(26,27)23-11-3-1-4-12-23/h2,5-10,13H,1,3-4,11-12,14H2,(H,20,25)
InChIKeyNQBWVMLZJLFILT-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.63
Rot. Bonds6

About N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 2622748) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID2622748
Molecular FormulaC19H21N5O3S2
Molecular Weight431.54 g/mol
Exact Mass431.11
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21N5O3S2/c25-18(14-28-19-22-21-17-6-2-5-13-24(17)19)20-15-7-9-16(10-8-15)29(26,27)23-11-3-1-4-12-23/h2,5-10,13H,1,3-4,11-12,14H2,(H,20,25)
InChIKeyNQBWVMLZJLFILT-UHFFFAOYSA-N
XLogP2.63
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 2622748) is N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is O=C(CSc1nnc2ccccn12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is NQBWVMLZJLFILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c25-18(14-28-19-22-21-17-6-2-5-13-24(17)19)20-15-7-9-16(10-8-15)29(26,27)23-11-3-1-4-12-23/h2,5-10,13H,1,3-4,11-12,14H2,(H,20,25).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 2622748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).