N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C21H23N5OS — CID 86964804

IUPACN-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccccn2)n1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23N5OS/c27-18(14-28-20-24-19(25-26-20)17-10-4-7-13-22-17)23-15-21(11-5-6-12-21)16-8-2-1-3-9-16/h1-4,7-10,13H,5-6,11-12,14-15H2,(H,23,27)(H,24,25,26)
InChIKeyDOOGDOLZZAIOCI-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.59
Rot. Bonds7

About N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 86964804) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID86964804
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccccn2)n1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23N5OS/c27-18(14-28-20-24-19(25-26-20)17-10-4-7-13-22-17)23-15-21(11-5-6-12-21)16-8-2-1-3-9-16/h1-4,7-10,13H,5-6,11-12,14-15H2,(H,23,27)(H,24,25,26)
InChIKeyDOOGDOLZZAIOCI-UHFFFAOYSA-N
XLogP3.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 31506753
N-[(4-phenyloxan-4-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 47057294
2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 124506830
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 684403
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 60513656
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410
N-(2-phenylethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3299041
1-phenothiazin-10-yl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3161714
2-[[5-(5-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 71006010
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30422085

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 86964804) is N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(-c2ccccn2)n1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DOOGDOLZZAIOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-18(14-28-20-24-19(25-26-20)17-10-4-7-13-22-17)23-15-21(11-5-6-12-21)16-8-2-1-3-9-16/h1-4,7-10,13H,5-6,11-12,14-15H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 393.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopentyl)methyl]-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 86964804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).