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

C15H18Cl2N4O2S — CID 2576450

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)n[nH]c1=O
InChIInChI=1S/C15H18Cl2N4O2S/c1-2-7-21-14(23)19-20-15(21)24-9-13(22)18-6-5-10-3-4-11(16)8-12(10)17/h3-4,8H,2,5-7,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyQCERNUZSUPBWHP-UHFFFAOYSA-N
MW389.31 g/mol
LogP2.74
Rot. Bonds8

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

N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2576450) has the molecular formula C15H18Cl2N4O2S and a molecular weight of 389.31 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2576450
Molecular FormulaC15H18Cl2N4O2S
Molecular Weight389.31 g/mol
Exact Mass388.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)n[nH]c1=O
InChIInChI=1S/C15H18Cl2N4O2S/c1-2-7-21-14(23)19-20-15(21)24-9-13(22)18-6-5-10-3-4-11(16)8-12(10)17/h3-4,8H,2,5-7,9H2,1H3,(H,18,22)(H,19,23)
InChIKeyQCERNUZSUPBWHP-UHFFFAOYSA-N
XLogP2.74
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2079661
N-[(2-chlorophenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2081579
N-[(4-chlorophenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2567791
2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 8439403
N-(2-methylpropyl)-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24761669
N-[2-(4-chlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576445
N-[3-acetyl-2-(2,6-dichlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 3124120
N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 17404021
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 18129038
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41487281
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 41496441
N-[4-acetyl-5-(2,4-dichlorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2831681

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2576450) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)n[nH]c1=O.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QCERNUZSUPBWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2S/c1-2-7-21-14(23)19-20-15(21)24-9-13(22)18-6-5-10-3-4-11(16)8-12(10)17/h3-4,8H,2,5-7,9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 389.31 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2576450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).