2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide

C18H21N5O3S2 — CID 75468154

IUPAC2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12)c1ccccc1
InChIInChI=1S/C18H21N5O3S2/c1-4-22(14-8-6-5-7-9-14)17(24)13-27-18-20-19-16-11-10-15(12-23(16)18)28(25,26)21(2)3/h5-12H,4,13H2,1-3H3
InChIKeyMIWJKSRIMYOYQO-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.12
Rot. Bonds7

About 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide

2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide (PubChem CID 75468154) has the molecular formula C18H21N5O3S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide
PubChem CID75468154
Molecular FormulaC18H21N5O3S2
Molecular Weight419.53 g/mol
Exact Mass419.11
IUPAC Name2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12)c1ccccc1
InChIInChI=1S/C18H21N5O3S2/c1-4-22(14-8-6-5-7-9-14)17(24)13-27-18-20-19-16-11-10-15(12-23(16)18)28(25,26)21(2)3/h5-12H,4,13H2,1-3H3
InChIKeyMIWJKSRIMYOYQO-UHFFFAOYSA-N
XLogP2.12
TPSA87.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide (CID 75468154) is 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12)c1ccccc1.
What is the InChIKey of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
The InChIKey is MIWJKSRIMYOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S2/c1-4-22(14-8-6-5-7-9-14)17(24)13-27-18-20-19-16-11-10-15(12-23(16)18)28(25,26)21(2)3/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide has a molecular weight of 419.53 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 75468154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).