N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide

C19H22N4O2S — CID 78228822

IUPACN-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSC2NNC(c3ccccc3)C(=O)N2)c1
InChIInChI=1S/C19H22N4O2S/c1-12-8-9-13(2)15(10-12)20-16(24)11-26-19-21-18(25)17(22-23-19)14-6-4-3-5-7-14/h3-10,17,19,22-23H,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyQPBZDYDVFLRHQA-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.22
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide

N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide (PubChem CID 78228822) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide
PubChem CID78228822
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSC2NNC(c3ccccc3)C(=O)N2)c1
InChIInChI=1S/C19H22N4O2S/c1-12-8-9-13(2)15(10-12)20-16(24)11-26-19-21-18(25)17(22-23-19)14-6-4-3-5-7-14/h3-10,17,19,22-23H,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyQPBZDYDVFLRHQA-UHFFFAOYSA-N
XLogP2.22
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-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

2-[(5-cyano-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 73220456
1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
CID 74640578
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 120761700
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
N-(2,5-dimethylphenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 41452841
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703519

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide (CID 78228822) is N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide is Cc1ccc(C)c(NC(=O)CSC2NNC(c3ccccc3)C(=O)N2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
The InChIKey is QPBZDYDVFLRHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-8-9-13(2)15(10-12)20-16(24)11-26-19-21-18(25)17(22-23-19)14-6-4-3-5-7-14/h3-10,17,19,22-23H,11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 78228822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).