2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide

C15H18N4O3S — CID 110377361

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)C(CC)Sc2n[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-9-5-7-10(8-6-9)16-12(20)11(4-2)23-14-13(21)17-15(22)19-18-14/h5-8,11H,3-4H2,1-2H3,(H,16,20)(H2,17,19,21,22)
InChIKeyRSQHWNDJTGJNJT-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.53
Rot. Bonds6

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide (PubChem CID 110377361) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide
PubChem CID110377361
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)C(CC)Sc2n[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-9-5-7-10(8-6-9)16-12(20)11(4-2)23-14-13(21)17-15(22)19-18-14/h5-8,11H,3-4H2,1-2H3,(H,16,20)(H2,17,19,21,22)
InChIKeyRSQHWNDJTGJNJT-UHFFFAOYSA-N
XLogP1.53
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]butanamide
CID 110377257
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methylphenyl)butanamide
CID 110377342
(2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
CID 6983950
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-ethylphenyl)butanamide
CID 136686029
2-[[5-(4-chlorophenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)butanamide
CID 18559472
(2R)-N-(4-ethylphenyl)-2-[[5-oxo-6-[2-(propanoylamino)phenyl]-4H-1,2,4-triazin-3-yl]sulfanyl]butanamide
CID 136919244
N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302158
N-(4-ethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51318031
(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552583
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
methyl 3-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoylamino]benzoate
CID 110377344
N-(4-fluorophenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685361

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide (CID 110377361) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide is CCc1ccc(NC(=O)C(CC)Sc2n[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide?
The InChIKey is RSQHWNDJTGJNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-3-9-5-7-10(8-6-9)16-12(20)11(4-2)23-14-13(21)17-15(22)19-18-14/h5-8,11H,3-4H2,1-2H3,(H,16,20)(H2,17,19,21,22).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide has a molecular weight of 334.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-ethylphenyl)butanamide is sourced from PubChem (CID 110377361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).