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

C18H19N5O4S2 — CID 3953394

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19N5O4S2/c24-17(13-28-18-21-20-16-6-1-2-7-23(16)18)19-14-4-3-5-15(12-14)29(25,26)22-8-10-27-11-9-22/h1-7,12H,8-11,13H2,(H,19,24)
InChIKeyVUAWFYCUHCALBW-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.48
Rot. Bonds6

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

N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 3953394) has the molecular formula C18H19N5O4S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID3953394
Molecular FormulaC18H19N5O4S2
Molecular Weight433.52 g/mol
Exact Mass433.09
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19N5O4S2/c24-17(13-28-18-21-20-16-6-1-2-7-23(16)18)19-14-4-3-5-15(12-14)29(25,26)22-8-10-27-11-9-22/h1-7,12H,8-11,13H2,(H,19,24)
InChIKeyVUAWFYCUHCALBW-UHFFFAOYSA-N
XLogP1.48
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 3953394) is N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is O=C(CSc1nnc2ccccn12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is VUAWFYCUHCALBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S2/c24-17(13-28-18-21-20-16-6-1-2-7-23(16)18)19-14-4-3-5-15(12-14)29(25,26)22-8-10-27-11-9-22/h1-7,12H,8-11,13H2,(H,19,24).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 433.52 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 3953394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).