2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C20H24N4OS — CID 51315740

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1ccc(C(C)(C)C)cc1)c1nnc2ccccn12
InChIInChI=1S/C20H24N4OS/c1-14(19-23-22-17-7-5-6-12-24(17)19)21-18(25)13-26-16-10-8-15(9-11-16)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,21,25)
InChIKeyWWGHNMAFOYOUOC-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 51315740) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID51315740
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1ccc(C(C)(C)C)cc1)c1nnc2ccccn12
InChIInChI=1S/C20H24N4OS/c1-14(19-23-22-17-7-5-6-12-24(17)19)21-18(25)13-26-16-10-8-15(9-11-16)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,21,25)
InChIKeyWWGHNMAFOYOUOC-UHFFFAOYSA-N
XLogP4.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030745
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 74056235
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 51248032
4-(difluoromethylsulfanyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51326980
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
CID 43703569

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 51315740) is 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is CC(NC(=O)CSc1ccc(C(C)(C)C)cc1)c1nnc2ccccn12.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is WWGHNMAFOYOUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14(19-23-22-17-7-5-6-12-24(17)19)21-18(25)13-26-16-10-8-15(9-11-16)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,21,25).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 368.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 51315740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).