N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H17N5OS2 — CID 1294921

IUPACN-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCSc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H17N5OS2/c1-12-7-3-4-8-13(12)18-16(23)11-25-17-19-20-21-22(17)14-9-5-6-10-15(14)24-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyQJWSWQLNXDYMCD-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.42
Rot. Bonds6

About N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1294921) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1294921
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC NameN-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCSc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C
InChIInChI=1S/C17H17N5OS2/c1-12-7-3-4-8-13(12)18-16(23)11-25-17-19-20-21-22(17)14-9-5-6-10-15(14)24-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyQJWSWQLNXDYMCD-UHFFFAOYSA-N
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1294921) is N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide is CSc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is QJWSWQLNXDYMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c1-12-7-3-4-8-13(12)18-16(23)11-25-17-19-20-21-22(17)14-9-5-6-10-15(14)24-2/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 371.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1294921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).