2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide

C16H22FNOS — CID 134017008

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSCc2ccccc2F)CC1
InChIInChI=1S/C16H22FNOS/c1-12-6-8-14(9-7-12)18-16(19)11-20-10-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11H2,1H3,(H,18,19)
InChIKeyMRNJPCXOVOAHDU-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.75
Rot. Bonds5

About 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide

2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 134017008) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
PubChem CID134017008
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSCc2ccccc2F)CC1
InChIInChI=1S/C16H22FNOS/c1-12-6-8-14(9-7-12)18-16(19)11-20-10-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11H2,1H3,(H,18,19)
InChIKeyMRNJPCXOVOAHDU-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
2-[(2-methylphenyl)methylsulfanyl]-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide
CID 118782853

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide (CID 134017008) is 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSCc2ccccc2F)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is MRNJPCXOVOAHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c1-12-6-8-14(9-7-12)18-16(19)11-20-10-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11H2,1H3,(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide?
2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 295.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 134017008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).