N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C19H20Cl2N4OS — CID 2394366

IUPACN-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCCC[C@H](CNC(=O)CSc1nnc2ccccn12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N4OS/c1-2-5-13(15-8-7-14(20)10-16(15)21)11-22-18(26)12-27-19-24-23-17-6-3-4-9-25(17)19/h3-4,6-10,13H,2,5,11-12H2,1H3,(H,22,26)/t13-/m1/s1
InChIKeyFVPDKCQCUQKIPO-CYBMUJFWSA-N
MW423.37 g/mol
LogP4.83
Rot. Bonds8

About N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 2394366) has the molecular formula C19H20Cl2N4OS and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID2394366
Molecular FormulaC19H20Cl2N4OS
Molecular Weight423.37 g/mol
Exact Mass422.07
IUPAC NameN-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCCC[C@H](CNC(=O)CSc1nnc2ccccn12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N4OS/c1-2-5-13(15-8-7-14(20)10-16(15)21)11-22-18(26)12-27-19-24-23-17-6-3-4-9-25(17)19/h3-4,6-10,13H,2,5,11-12H2,1H3,(H,22,26)/t13-/m1/s1
InChIKeyFVPDKCQCUQKIPO-CYBMUJFWSA-N
XLogP4.83
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide
CID 40794964
N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46445394
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2430999
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 25466393
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558402
N-[1-(2,4-dichlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 42977519
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558440
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
N-[2-(2,4-dichlorophenyl)pentyl]-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3943779
N-(2-phenylsulfanylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7628096
2-(4-chlorophenoxy)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetohydrazide
CID 7888739

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 2394366) is N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is CCC[C@H](CNC(=O)CSc1nnc2ccccn12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is FVPDKCQCUQKIPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20Cl2N4OS/c1-2-5-13(15-8-7-14(20)10-16(15)21)11-22-18(26)12-27-19-24-23-17-6-3-4-9-25(17)19/h3-4,6-10,13H,2,5,11-12H2,1H3,(H,22,26)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 423.37 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 2394366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).