4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C19H21N5O4S — CID 41290634

IUPAC4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C19H21N5O4S/c25-19(20-13-18-23-22-17-5-1-2-10-24(17)18)14-6-8-16(9-7-14)29(26,27)21-12-15-4-3-11-28-15/h1-2,5-10,15,21H,3-4,11-13H2,(H,20,25)/t15-/m1/s1
InChIKeyKJVHQWLQAADEGG-OAHLLOKOSA-N
MW415.48 g/mol
LogP1.12
Rot. Bonds7

About 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 41290634) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID41290634
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C19H21N5O4S/c25-19(20-13-18-23-22-17-5-1-2-10-24(17)18)14-6-8-16(9-7-14)29(26,27)21-12-15-4-3-11-28-15/h1-2,5-10,15,21H,3-4,11-13H2,(H,20,25)/t15-/m1/s1
InChIKeyKJVHQWLQAADEGG-OAHLLOKOSA-N
XLogP1.12
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 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 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 41290634) is 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is KJVHQWLQAADEGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O4S/c25-19(20-13-18-23-22-17-5-1-2-10-24(17)18)14-6-8-16(9-7-14)29(26,27)21-12-15-4-3-11-28-15/h1-2,5-10,15,21H,3-4,11-13H2,(H,20,25)/t15-/m1/s1.
What are the key properties of 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 415.48 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 41290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).