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

C12H16N4O3S — CID 78305586

IUPACN-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSC2NNCC(=O)N2)cc1
InChIInChI=1S/C12H16N4O3S/c1-19-9-4-2-8(3-5-9)14-11(18)7-20-12-15-10(17)6-13-16-12/h2-5,12-13,16H,6-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyGUIMYQPKLUUZKS-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.13
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide (PubChem CID 78305586) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
PubChem CID78305586
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSC2NNCC(=O)N2)cc1
InChIInChI=1S/C12H16N4O3S/c1-19-9-4-2-8(3-5-9)14-11(18)7-20-12-15-10(17)6-13-16-12/h2-5,12-13,16H,6-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyGUIMYQPKLUUZKS-UHFFFAOYSA-N
XLogP-0.13
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 78458134
ethyl 4-[[2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetyl]amino]benzoate
CID 78205791
2-[(6-benzyl-5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 78458113
propan-2-yl 3-[[2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetyl]amino]benzoate
CID 78485691
2-[[6-[(4-ethoxyphenyl)methyl]-5-oxo-1,2,4-triazinan-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 73452185
2-[[5-(2,4-dimethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 74526197
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
ethyl 4-[[2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetyl]amino]benzoate
CID 75551069
N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78365672
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 729797
2-[(4-methoxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 78411748

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide (CID 78305586) is N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSC2NNCC(=O)N2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
The InChIKey is GUIMYQPKLUUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-19-9-4-2-8(3-5-9)14-11(18)7-20-12-15-10(17)6-13-16-12/h2-5,12-13,16H,6-7H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide has a molecular weight of 296.35 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 78305586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).