2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide

C13H12Cl2N4O2S — CID 2516584

IUPAC2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2S/c14-7-1-4-10(9(15)5-7)16-11(20)6-22-13-18-17-12(21)19(13)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,20)(H,17,21)
InChIKeyYRVQFFKERJOZNE-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.94
Rot. Bonds5

About 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 2516584) has the molecular formula C13H12Cl2N4O2S and a molecular weight of 359.24 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
PubChem CID2516584
Molecular FormulaC13H12Cl2N4O2S
Molecular Weight359.24 g/mol
Exact Mass358.01
IUPAC Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2S/c14-7-1-4-10(9(15)5-7)16-11(20)6-22-13-18-17-12(21)19(13)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,20)(H,17,21)
InChIKeyYRVQFFKERJOZNE-UHFFFAOYSA-N
XLogP2.94
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2084939
N-(2,5-dichlorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2524804
N-(2-chlorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2547934
N-(3-chloro-4-fluorophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2088345
2-[(4-cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2814345
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 2545432
N-(4-chlorophenyl)-2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8895648
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 2090648
N-(4-chlorophenyl)-2-[[4-(3-fluorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2743975
N-(2,3-dichlorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2105455
N-(4-chlorophenyl)-2-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2743967
3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 17453177

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide (CID 2516584) is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide is O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is YRVQFFKERJOZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2S/c14-7-1-4-10(9(15)5-7)16-11(20)6-22-13-18-17-12(21)19(13)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,16,20)(H,17,21).
What are the key properties of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 359.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2516584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).