N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C15H18FN5OS — CID 859398

IUPACN-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C15H18FN5OS/c16-11-6-8-13(9-7-11)21-15(18-19-20-21)23-10-14(22)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,22)
InChIKeyHOBARAXZIOICMX-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.34
Rot. Bonds5

About N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 859398) has the molecular formula C15H18FN5OS and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID859398
Molecular FormulaC15H18FN5OS
Molecular Weight335.41 g/mol
Exact Mass335.12
IUPAC NameN-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C15H18FN5OS/c16-11-6-8-13(9-7-11)21-15(18-19-20-21)23-10-14(22)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,22)
InChIKeyHOBARAXZIOICMX-UHFFFAOYSA-N
XLogP2.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 859398) is N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is HOBARAXZIOICMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5OS/c16-11-6-8-13(9-7-11)21-15(18-19-20-21)23-10-14(22)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,17,22).
What are the key properties of N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 859398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).