2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide

C20H24N4O2S — CID 18129053

IUPAC2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(C)c2cccc3ccccc23)n[nH]c1=O
InChIInChI=1S/C20H24N4O2S/c1-3-4-12-24-19(26)22-23-20(24)27-13-18(25)21-14(2)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyIZMVSYWSXOCRTM-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.49
Rot. Bonds8

About 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide

2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 18129053) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID18129053
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(C)c2cccc3ccccc23)n[nH]c1=O
InChIInChI=1S/C20H24N4O2S/c1-3-4-12-24-19(26)22-23-20(24)27-13-18(25)21-14(2)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyIZMVSYWSXOCRTM-UHFFFAOYSA-N
XLogP3.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 30474230
N-(1-naphthalen-1-ylethyl)-2-[(5-oxo-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 46608221
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8625729
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-iodophenyl)acetamide
CID 32508355
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8611830
N-acetyl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9377328
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)acetamide
CID 51184033
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8883228
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8630450
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8630456

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide (CID 18129053) is 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide is CCCCn1c(SCC(=O)NC(C)c2cccc3ccccc23)n[nH]c1=O.
What is the InChIKey of 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is IZMVSYWSXOCRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-3-4-12-24-19(26)22-23-20(24)27-13-18(25)21-14(2)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 18129053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).