2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

C14H20N4O2S — CID 78458134

IUPAC2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSC2NNCC(=O)N2)cc1
InChIInChI=1S/C14H20N4O2S/c1-9(2)10-3-5-11(6-4-10)16-13(20)8-21-14-17-12(19)7-15-18-14/h3-6,9,14-15,18H,7-8H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXAKITCNKNHMHPV-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.99
Rot. Bonds5

About 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 78458134) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID78458134
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSC2NNCC(=O)N2)cc1
InChIInChI=1S/C14H20N4O2S/c1-9(2)10-3-5-11(6-4-10)16-13(20)8-21-14-17-12(19)7-15-18-14/h3-6,9,14-15,18H,7-8H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXAKITCNKNHMHPV-UHFFFAOYSA-N
XLogP0.99
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
CID 78305586
N-(3,4-dimethylphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
CID 78458136
ethyl 4-[[2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetyl]amino]benzoate
CID 78205791
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
cyclopentyl-dimethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 8875930
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
CID 78453382
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 78458134) is 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSC2NNCC(=O)N2)cc1.
What is the InChIKey of 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XAKITCNKNHMHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(2)10-3-5-11(6-4-10)16-13(20)8-21-14-17-12(19)7-15-18-14/h3-6,9,14-15,18H,7-8H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 308.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 78458134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).