2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

C23H20N4O2S — CID 41250816

IUPAC2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C23H20N4O2S/c1-16(19-13-8-14-29-19)24-20(28)15-30-23-25-21(17-9-4-2-5-10-17)22(26-27-23)18-11-6-3-7-12-18/h2-14,16H,15H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyUYDBKGVOITUPRP-INIZCTEOSA-N
MW416.51 g/mol
LogP4.77
Rot. Bonds7

About 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 41250816) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
PubChem CID41250816
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C23H20N4O2S/c1-16(19-13-8-14-29-19)24-20(28)15-30-23-25-21(17-9-4-2-5-10-17)22(26-27-23)18-11-6-3-7-12-18/h2-14,16H,15H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyUYDBKGVOITUPRP-INIZCTEOSA-N
XLogP4.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide with MolForge

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Related Compounds

N-benzhydryl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6414091
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 46606087
N-[4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3186706
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 2771875
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 3147368
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 51215019
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8885286
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6404295
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6404306

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (CID 41250816) is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1.
What is the InChIKey of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is UYDBKGVOITUPRP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-16(19-13-8-14-29-19)24-20(28)15-30-23-25-21(17-9-4-2-5-10-17)22(26-27-23)18-11-6-3-7-12-18/h2-14,16H,15H2,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 41250816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).