1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone

C17H16N4O2S — CID 1039864

IUPAC1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2)cc1
InChIInChI=1S/C17H16N4O2S/c1-12-4-3-5-14(10-12)21-17(18-19-20-21)24-11-16(22)13-6-8-15(23-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyPZYUVRDAPUXHSV-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.95
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone

1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 1039864) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID1039864
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2)cc1
InChIInChI=1S/C17H16N4O2S/c1-12-4-3-5-14(10-12)21-17(18-19-20-21)24-11-16(22)13-6-8-15(23-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyPZYUVRDAPUXHSV-UHFFFAOYSA-N
XLogP2.95
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-Dihydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 1515366
4-[5-(4-ethylphenoxy)-1H-tetrazol-1-yl]benzamide
CID 934907
4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid
CID 700550
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 1073207
4-[5-[(4-Methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 2293252
1-(4-methoxy-3-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl}phenyl)ethanone
CID 2528634
1-(3,4-Dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2617712
N-[3-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyltetrazol-2-yl]phenyl]acetamide
CID 2810542
1-(1-Benzofuran-2-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2998721
2-{[1-(4-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1-phenylethanone
CID 659783
4-{5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzamide
CID 2254911
1-[4-Methoxy-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone
CID 2572920

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone (CID 1039864) is 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone is COc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is PZYUVRDAPUXHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-4-3-5-14(10-12)21-17(18-19-20-21)24-11-16(22)13-6-8-15(23-2)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 340.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 1039864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).