2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C15H18FN5OS — CID 805201

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C15H18FN5OS/c16-12-8-4-5-9-13(12)17-14(22)10-23-15-18-19-20-21(15)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,22)
InChIKeyHLHGPHMQGJADPO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.05
Rot. Bonds5

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 805201) has the molecular formula C15H18FN5OS and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID805201
Molecular FormulaC15H18FN5OS
Molecular Weight335.41 g/mol
Exact Mass335.12
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C15H18FN5OS/c16-12-8-4-5-9-13(12)17-14(22)10-23-15-18-19-20-21(15)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,22)
InChIKeyHLHGPHMQGJADPO-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 805201) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1F.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is HLHGPHMQGJADPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5OS/c16-12-8-4-5-9-13(12)17-14(22)10-23-15-18-19-20-21(15)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,22).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 805201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).