2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C18H20N4O3S — CID 39718583

IUPAC2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NCc1nnc2ccccn12
InChIInChI=1S/C18H20N4O3S/c23-18(19-13-17-21-20-16-10-4-5-11-22(16)17)14-26(24,25)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,19,23)
InChIKeyDIDQZCQJXFMUHB-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.39
Rot. Bonds8

About 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 39718583) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID39718583
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NCc1nnc2ccccn12
InChIInChI=1S/C18H20N4O3S/c23-18(19-13-17-21-20-16-10-4-5-11-22(16)17)14-26(24,25)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,19,23)
InChIKeyDIDQZCQJXFMUHB-UHFFFAOYSA-N
XLogP1.39
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021061
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
2-(2-phenylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021053
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
3-(phenylcarbamoylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9451649
2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71829558

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 39718583) is 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is O=C(CS(=O)(=O)CCCc1ccccc1)NCc1nnc2ccccn12.
What is the InChIKey of 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is DIDQZCQJXFMUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-18(19-13-17-21-20-16-10-4-5-11-22(16)17)14-26(24,25)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,19,23).
What are the key properties of 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 39718583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).