2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide

C19H24N4O2S — CID 18091559

IUPAC2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C19H24N4O2S/c1-2-22(16-11-7-4-8-12-16)17(24)14-26-19-21-20-18(25)23(19)13-15-9-5-3-6-10-15/h3,5-6,9-11H,2,4,7-8,12-14H2,1H3,(H,20,25)
InChIKeyZJRGUPGGZVLEQV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.02
Rot. Bonds7

About 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide

2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 18091559) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID18091559
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C19H24N4O2S/c1-2-22(16-11-7-4-8-12-16)17(24)14-26-19-21-20-18(25)23(19)13-15-9-5-3-6-10-15/h3,5-6,9-11H,2,4,7-8,12-14H2,1H3,(H,20,25)
InChIKeyZJRGUPGGZVLEQV-UHFFFAOYSA-N
XLogP3.02
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide 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-benzyl-N-methyl-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135415412
N-benzyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2085020
N-[(4-methylphenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576669
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4317730
N,N-dimethyl-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8439295
N,N-diethyl-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8439366
N-butan-2-yl-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16305271
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
N-benzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2089167
N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2104131
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2524421
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3437476

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 18091559) is 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)C1=CCCCC1.
What is the InChIKey of 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is ZJRGUPGGZVLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-22(16-11-7-4-8-12-16)17(24)14-26-19-21-20-18(25)23(19)13-15-9-5-3-6-10-15/h3,5-6,9-11H,2,4,7-8,12-14H2,1H3,(H,20,25).
What are the key properties of 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 18091559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).