(2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide

C24H28N4O2S — CID 135910078

IUPAC(2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](Sc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C24H28N4O2S/c1-24(2,3)18-13-11-16(12-14-18)15-19-21(29)25-23(27-26-19)31-20(22(30)28(4)5)17-9-7-6-8-10-17/h6-14,20H,15H2,1-5H3,(H,25,27,29)/t20-/m1/s1
InChIKeyYVJSSOWSBQKJCT-HXUWFJFHSA-N
MW436.58 g/mol
LogP3.97
Rot. Bonds6

About (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide

(2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 135910078) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
PubChem CID135910078
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name(2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](Sc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C24H28N4O2S/c1-24(2,3)18-13-11-16(12-14-18)15-19-21(29)25-23(27-26-19)31-20(22(30)28(4)5)17-9-7-6-8-10-17/h6-14,20H,15H2,1-5H3,(H,25,27,29)/t20-/m1/s1
InChIKeyYVJSSOWSBQKJCT-HXUWFJFHSA-N
XLogP3.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

6-benzyl-3-propylsulfanyl-4H-1,2,4-triazin-5-one
CID 135656487
(2S)-2-[[5-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 27765782
3-[(4-aminophenyl)methylsulfanyl]-6-benzyl-4H-1,2,4-triazin-5-one
CID 136923271
(2R)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 51574394
4-[2-[(6-benzyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid
CID 136923357
N,N-dimethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 18198813
3-(N-methylanilino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561097
2-[[6-[(4-ethoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N-phenylacetamide
CID 135686517
(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 25356354
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 51318159
N,N-dimethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 51236974
(2S)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41250875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide (CID 135910078) is (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@H](Sc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]1)c1ccccc1.
What is the InChIKey of (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is YVJSSOWSBQKJCT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-24(2,3)18-13-11-16(12-14-18)15-19-21(29)25-23(27-26-19)31-20(22(30)28(4)5)17-9-7-6-8-10-17/h6-14,20H,15H2,1-5H3,(H,25,27,29)/t20-/m1/s1.
What are the key properties of (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
(2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 436.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[(4-tert-butylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 135910078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).