2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide

C22H17N5O2S — CID 50755280

IUPAC2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1
InChIInChI=1S/C22H17N5O2S/c1-14-6-4-7-15(12-14)23-19(28)13-30-22-26-25-20-16-8-2-3-9-17(16)24-21(27(20)22)18-10-5-11-29-18/h2-12H,13H2,1H3,(H,23,28)
InChIKeyBUMGIASCAWFYQO-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.58
Rot. Bonds5

About 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide

2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 50755280) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID50755280
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1
InChIInChI=1S/C22H17N5O2S/c1-14-6-4-7-15(12-14)23-19(28)13-30-22-26-25-20-16-8-2-3-9-17(16)24-21(27(20)22)18-10-5-11-29-18/h2-12H,13H2,1H3,(H,23,28)
InChIKeyBUMGIASCAWFYQO-UHFFFAOYSA-N
XLogP4.58
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide with MolForge

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Related Compounds

N-(3-bromophenyl)-2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50755474
2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 50755382
methyl 2-[[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 50755383
N-(3-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50815404
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46525734
2-[(3-methyl-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 47091823
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3149091
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7855403
N-(3-bromophenyl)-2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2042875
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfonylphenyl)acetamide
CID 8889173
2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 2048524
dimethyl-[3-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
CID 7582822

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide (CID 50755280) is 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1.
What is the InChIKey of 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is BUMGIASCAWFYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-14-6-4-7-15(12-14)23-19(28)13-30-22-26-25-20-16-8-2-3-9-17(16)24-21(27(20)22)18-10-5-11-29-18/h2-12H,13H2,1H3,(H,23,28).
What are the key properties of 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 415.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 50755280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).