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

C20H20N4O2S — CID 1206494

IUPACN-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4O2S/c1-3-18(26)24-20(22-19(23-24)15-7-5-4-6-8-15)27-13-17(25)21-16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3,(H,21,25)
InChIKeyDSTGIJQQTBLQAI-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.03
Rot. Bonds6

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

N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1206494) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1206494
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4O2S/c1-3-18(26)24-20(22-19(23-24)15-7-5-4-6-8-15)27-13-17(25)21-16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3,(H,21,25)
InChIKeyDSTGIJQQTBLQAI-UHFFFAOYSA-N
XLogP4.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-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

Related Compounds

N-Phenyl-2-(5-phenyl-2H-(1,2,4)triazol-3-ylsulfanyl)-acetamide
CID 684474
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 728570
2-{2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenyl-1-hydrazinecarboxamide
CID 2814556
2-((5-Methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide
CID 865210
2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 7862578
N-(2-bromophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073043
N-(2-iodophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073593
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 969724
2-{[5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
CID 2194313
2-(4,5-Dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-p-tolyl-propionamide
CID 3142728
N-tert-Butyl-2-[4-(4-dimethylamino-benzylamino)-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 1017363
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1130285

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1206494) is N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DSTGIJQQTBLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-18(26)24-20(22-19(23-24)15-7-5-4-6-8-15)27-13-17(25)21-16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3,(H,21,25).
What are the key properties of N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1206494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).