N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H14N6OS — CID 7647313

IUPACN-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H14N6OS/c1-12-5-2-3-8-15(12)23-17(20-21-22-23)25-11-16(24)19-14-7-4-6-13(9-14)10-18/h2-9H,11H2,1H3,(H,19,24)
InChIKeyUTGAKMJMTGVNKK-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.57
Rot. Bonds5

About N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7647313) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7647313
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC NameN-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H14N6OS/c1-12-5-2-3-8-15(12)23-17(20-21-22-23)25-11-16(24)19-14-7-4-6-13(9-14)10-18/h2-9H,11H2,1H3,(H,19,24)
InChIKeyUTGAKMJMTGVNKK-UHFFFAOYSA-N
XLogP2.57
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614143
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-(4-hydroxy-3-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5234701
[3-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl] thiocyanate
CID 7647104
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9150724
N-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 8686229
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
N-(2,6-dibromo-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2388271
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739
N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5001516
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16509717

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7647313) is N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is UTGAKMJMTGVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-12-5-2-3-8-15(12)23-17(20-21-22-23)25-11-16(24)19-14-7-4-6-13(9-14)10-18/h2-9H,11H2,1H3,(H,19,24).
What are the key properties of N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 350.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7647313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).