N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H13F2N5O2S — CID 16536120

IUPACN-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F2N5O2S/c1-25-13-8-3-2-7-12(13)23-16(20-21-22-23)26-9-14(24)19-15-10(17)5-4-6-11(15)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeySPSYVKPYWIYKFE-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.68
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 16536120) has the molecular formula C16H13F2N5O2S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID16536120
Molecular FormulaC16H13F2N5O2S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC NameN-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F2N5O2S/c1-25-13-8-3-2-7-12(13)23-16(20-21-22-23)26-9-14(24)19-15-10(17)5-4-6-11(15)18/h2-8H,9H2,1H3,(H,19,24)
InChIKeySPSYVKPYWIYKFE-UHFFFAOYSA-N
XLogP2.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 997307
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
N-(3-fluoro-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5141094
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16554838
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3671100
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
methyl 3-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 33093690
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375
2-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16535931
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083203
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7455398

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 16536120) is N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccccc1-n1nnnc1SCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is SPSYVKPYWIYKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2S/c1-25-13-8-3-2-7-12(13)23-16(20-21-22-23)26-9-14(24)19-15-10(17)5-4-6-11(15)18/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 377.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 16536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).