2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

C16H22FNO2S — CID 65120287

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2S/c1-12-6-8-16(20,9-7-12)11-18-15(19)10-21-14-5-3-2-4-13(14)17/h2-5,12,20H,6-11H2,1H3,(H,18,19)
InChIKeyNIZZMDBPJIUKAU-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (PubChem CID 65120287) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
PubChem CID65120287
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2S/c1-12-6-8-16(20,9-7-12)11-18-15(19)10-21-14-5-3-2-4-13(14)17/h2-5,12,20H,6-11H2,1H3,(H,18,19)
InChIKeyNIZZMDBPJIUKAU-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (CID 65120287) is 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide is CC1CCC(O)(CNC(=O)CSc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The InChIKey is NIZZMDBPJIUKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c1-12-6-8-16(20,9-7-12)11-18-15(19)10-21-14-5-3-2-4-13(14)17/h2-5,12,20H,6-11H2,1H3,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide has a molecular weight of 311.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65120287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).