N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide

C17H16N4O3S2 — CID 167908912

IUPACN-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide
SMILESCC(=O)c1c(NC(=O)CSc2nncc(-c3ccco3)n2)sc(C)c1C
InChIInChI=1S/C17H16N4O3S2/c1-9-11(3)26-16(15(9)10(2)22)20-14(23)8-25-17-19-12(7-18-21-17)13-5-4-6-24-13/h4-7H,8H2,1-3H3,(H,20,23)
InChIKeyXRURVEDWGHWHDZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.74
Rot. Bonds6

About N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide

N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide (PubChem CID 167908912) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide
PubChem CID167908912
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide
SMILESCC(=O)c1c(NC(=O)CSc2nncc(-c3ccco3)n2)sc(C)c1C
InChIInChI=1S/C17H16N4O3S2/c1-9-11(3)26-16(15(9)10(2)22)20-14(23)8-25-17-19-12(7-18-21-17)13-5-4-6-24-13/h4-7H,8H2,1-3H3,(H,20,23)
InChIKeyXRURVEDWGHWHDZ-UHFFFAOYSA-N
XLogP3.74
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

methyl 2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8663207
methyl 2-[[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2519987
methyl 2-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6418150
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6404295
ethyl 5-acetyl-2-[[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate
CID 45134660
methyl 2-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19730731
methyl 2-[[2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 17306953
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6404306
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814051
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 6403909
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 6404294
ethyl 4-(furan-2-yl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 7499713

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide (CID 167908912) is N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide is CC(=O)c1c(NC(=O)CSc2nncc(-c3ccco3)n2)sc(C)c1C.
What is the InChIKey of N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The InChIKey is XRURVEDWGHWHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-9-11(3)26-16(15(9)10(2)22)20-14(23)8-25-17-19-12(7-18-21-17)13-5-4-6-24-13/h4-7H,8H2,1-3H3,(H,20,23).
What are the key properties of N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide?
N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4,5-dimethylthiophen-2-yl)-2-[[5-(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 167908912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).