N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C21H20N6OS — CID 11553194

IUPACN-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2nnnc2SCC(=O)Nc2cccc3ncccc23)c(C)c1
InChIInChI=1S/C21H20N6OS/c1-13-10-14(2)20(15(3)11-13)27-21(24-25-26-27)29-12-19(28)23-18-8-4-7-17-16(18)6-5-9-22-17/h4-11H,12H2,1-3H3,(H,23,28)
InChIKeyOWPREZDZVDOMRI-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.87
Rot. Bonds5

About N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 11553194) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID11553194
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC NameN-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2nnnc2SCC(=O)Nc2cccc3ncccc23)c(C)c1
InChIInChI=1S/C21H20N6OS/c1-13-10-14(2)20(15(3)11-13)27-21(24-25-26-27)29-12-19(28)23-18-8-4-7-17-16(18)6-5-9-22-17/h4-11H,12H2,1-3H3,(H,23,28)
InChIKeyOWPREZDZVDOMRI-UHFFFAOYSA-N
XLogP3.87
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 26650117
2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide
CID 43040100
N-(2-chloro-5-methylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11574920
N-(2,5-difluorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11552839
3-methyl-4-[[2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 15956702
N-(2,3-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8805931
N-(4-propan-2-ylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2810448
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylacetamide
CID 41364691
2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 11669633
N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7531942
2-[1-(2-bromo-4,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275067
N-(2-phenylethyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4211934

Frequently Asked Questions

What is the IUPAC name of N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 11553194) is N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2cccc3ncccc23)c(C)c1.
What is the InChIKey of N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is OWPREZDZVDOMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-13-10-14(2)20(15(3)11-13)27-21(24-25-26-27)29-12-19(28)23-18-8-4-7-17-16(18)6-5-9-22-17/h4-11H,12H2,1-3H3,(H,23,28).
What are the key properties of N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 404.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 11553194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).