2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide

C19H16N4O3S — CID 9347413

IUPAC2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H16N4O3S/c24-17(10-27-19-22-21-18(25)23(19)12-6-7-12)20-11-5-8-16-14(9-11)13-3-1-2-4-15(13)26-16/h1-5,8-9,12H,6-7,10H2,(H,20,24)(H,21,25)
InChIKeyFVLPZHIMKKEJMY-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.54
Rot. Bonds5

About 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide (PubChem CID 9347413) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide
PubChem CID9347413
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H16N4O3S/c24-17(10-27-19-22-21-18(25)23(19)12-6-7-12)20-11-5-8-16-14(9-11)13-3-1-2-4-15(13)26-16/h1-5,8-9,12H,6-7,10H2,(H,20,24)(H,21,25)
InChIKeyFVLPZHIMKKEJMY-UHFFFAOYSA-N
XLogP3.54
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide with MolForge

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Related Compounds

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 9347450
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 9347394
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)acetamide
CID 18202035
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)acetamide
CID 8889835
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9346722
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
N-dibenzofuran-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8569408
2-[(3-cyclopentyl-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18579243
N-(2-chloro-3-pyridinyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9347445
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9347471
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 9346686

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide (CID 9347413) is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide is O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide?
The InChIKey is FVLPZHIMKKEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-17(10-27-19-22-21-18(25)23(19)12-6-7-12)20-11-5-8-16-14(9-11)13-3-1-2-4-15(13)26-16/h1-5,8-9,12H,6-7,10H2,(H,20,24)(H,21,25).
What are the key properties of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide?
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide has a molecular weight of 380.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide is sourced from PubChem (CID 9347413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).