1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C17H12N4O2S — CID 2376479

IUPAC1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N4O2S/c22-14(16-10-12-6-4-5-9-15(12)23-16)11-24-17-18-19-20-21(17)13-7-2-1-3-8-13/h1-10H,11H2
InChIKeyCSKOYFUJLJRDMN-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.38
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 2376479) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID2376479
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C17H12N4O2S/c22-14(16-10-12-6-4-5-9-15(12)23-16)11-24-17-18-19-20-21(17)13-7-2-1-3-8-13/h1-10H,11H2
InChIKeyCSKOYFUJLJRDMN-UHFFFAOYSA-N
XLogP3.38
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-Methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2321873
1-(Furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2336427
Ethyl 3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 2120241
1-(1-Benzofuran-2-yl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2339924
1-(1-Benzofuran-2-yl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2339967
1-(1-Benzofuran-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2393360
Ethyl 3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 2615717
1-(1-Benzofuran-2-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2998721
1-(1-benzofuran-2-yl)-2-{[1-(4-hydroxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]thio}ethan-1-one
CID 2809868
2-{[1-(4-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethanone
CID 659783
1-(1-Benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 2732740
1-(1-Benzofuran-2-yl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2339904

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 2376479) is 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is CSKOYFUJLJRDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-14(16-10-12-6-4-5-9-15(12)23-16)11-24-17-18-19-20-21(17)13-7-2-1-3-8-13/h1-10H,11H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 336.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 2376479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).