N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide

C24H22N4O4S — CID 6499057

IUPACN-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(C)o3)c(-c3ccc(C)o3)n2)cc1C
InChIInChI=1S/C24H22N4O4S/c1-13-11-17(7-8-18(13)25-16(4)29)19(30)12-33-24-26-22(20-9-5-14(2)31-20)23(27-28-24)21-10-6-15(3)32-21/h5-11H,12H2,1-4H3,(H,25,29)
InChIKeyFORFFFFLESSZJS-UHFFFAOYSA-N
MW462.53 g/mol
LogP5.25
Rot. Bonds7

About N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide

N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide (PubChem CID 6499057) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide
PubChem CID6499057
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(C)o3)c(-c3ccc(C)o3)n2)cc1C
InChIInChI=1S/C24H22N4O4S/c1-13-11-17(7-8-18(13)25-16(4)29)19(30)12-33-24-26-22(20-9-5-14(2)31-20)23(27-28-24)21-10-6-15(3)32-21/h5-11H,12H2,1-4H3,(H,25,29)
InChIKeyFORFFFFLESSZJS-UHFFFAOYSA-N
XLogP5.25
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,4-dimethylphenyl)-2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanone
CID 6413385
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 6411915
N-[4-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-2-methylphenyl]propanamide
CID 6404311
N-[2-methylsulfanyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045910
N-[2-methoxy-5-[2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)acetyl]phenyl]acetamide
CID 6492870
2-[[5,6-bis(3-methylthiophen-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CID 6492462
N-[4-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55770306
methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 55538260
N-[4-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-2-methylphenyl]propanamide
CID 6404281
N-[2-methylsulfanyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045881
N-[4-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide
CID 1172369
1-(3,4-dimethylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923942

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide (CID 6499057) is N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(C)o3)c(-c3ccc(C)o3)n2)cc1C.
What is the InChIKey of N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide?
The InChIKey is FORFFFFLESSZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-13-11-17(7-8-18(13)25-16(4)29)19(30)12-33-24-26-22(20-9-5-14(2)31-20)23(27-28-24)21-10-6-15(3)32-21/h5-11H,12H2,1-4H3,(H,25,29).
What are the key properties of N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide?
N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5,6-bis(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 6499057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).