2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide

C24H29N5OS — CID 55878740

IUPAC2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)CN1CCCC1
InChIInChI=1S/C24H29N5OS/c1-19(17-28-14-8-9-15-28)16-25-22(30)18-31-24-27-26-23(20-10-4-2-5-11-20)29(24)21-12-6-3-7-13-21/h2-7,10-13,19H,8-9,14-18H2,1H3,(H,25,30)
InChIKeyNPHKHNCRJJCYQF-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.87
Rot. Bonds9

About 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 55878740) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID55878740
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)CN1CCCC1
InChIInChI=1S/C24H29N5OS/c1-19(17-28-14-8-9-15-28)16-25-22(30)18-31-24-27-26-23(20-10-4-2-5-11-20)29(24)21-12-6-3-7-13-21/h2-7,10-13,19H,8-9,14-18H2,1H3,(H,25,30)
InChIKeyNPHKHNCRJJCYQF-UHFFFAOYSA-N
XLogP3.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide with MolForge

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Related Compounds

N-(3-methylbutyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42741662
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 2489426
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentylacetamide
CID 17483969
1-(azepan-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2706954
2-[[5-(4-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 46269967
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide
CID 40670280
N-[(4-methylphenyl)methyl]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2967319
N-[2-(dimethylamino)-2-phenylethyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112784131
N-[4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]-2-methylpropanamide
CID 26907108
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 56558287
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ylethyl)butanamide
CID 3950732
N-(3-methylbutan-2-yl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42741664

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide (CID 55878740) is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide is CC(CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)CN1CCCC1.
What is the InChIKey of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is NPHKHNCRJJCYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-19(17-28-14-8-9-15-28)16-25-22(30)18-31-24-27-26-23(20-10-4-2-5-11-20)29(24)21-12-6-3-7-13-21/h2-7,10-13,19H,8-9,14-18H2,1H3,(H,25,30).
What are the key properties of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide?
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 435.60 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 55878740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).