N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H20N4O3S2 — CID 5191238

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCS(=O)(=O)C2)nnc1-c1ccccc1
InChIInChI=1S/C16H20N4O3S2/c1-2-20-15(12-6-4-3-5-7-12)18-19-16(20)24-10-14(21)17-13-8-9-25(22,23)11-13/h3-7,13H,2,8-11H2,1H3,(H,17,21)
InChIKeyAYBVOJFPSAESQE-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.36
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 5191238) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID5191238
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCS(=O)(=O)C2)nnc1-c1ccccc1
InChIInChI=1S/C16H20N4O3S2/c1-2-20-15(12-6-4-3-5-7-12)18-19-16(20)24-10-14(21)17-13-8-9-25(22,23)11-13/h3-7,13H,2,8-11H2,1H3,(H,17,21)
InChIKeyAYBVOJFPSAESQE-UHFFFAOYSA-N
XLogP1.36
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 5191238) is N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(SCC(=O)NC2CCS(=O)(=O)C2)nnc1-c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is AYBVOJFPSAESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-2-20-15(12-6-4-3-5-7-12)18-19-16(20)24-10-14(21)17-13-8-9-25(22,23)11-13/h3-7,13H,2,8-11H2,1H3,(H,17,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 380.50 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 5191238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).