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

C18H18FN5OS — CID 8686311

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H18FN5OS/c1-13-6-2-5-9-16(13)24-18(21-22-23-24)26-12-17(25)20-11-10-14-7-3-4-8-15(14)19/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyKVEPFJFPIWFZPU-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.56
Rot. Bonds7

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

N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8686311) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8686311
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H18FN5OS/c1-13-6-2-5-9-16(13)24-18(21-22-23-24)26-12-17(25)20-11-10-14-7-3-4-8-15(14)19/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyKVEPFJFPIWFZPU-UHFFFAOYSA-N
XLogP2.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 17412252
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
CID 17394512
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-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 27942630
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7660850

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8686311) is N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccccc1-n1nnnc1SCC(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KVEPFJFPIWFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-13-6-2-5-9-16(13)24-18(21-22-23-24)26-12-17(25)20-11-10-14-7-3-4-8-15(14)19/h2-9H,10-12H2,1H3,(H,20,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 371.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8686311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).