N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide

C17H25FN2OS — CID 4780456

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCN(C)C1(CNC(=O)CSc2ccccc2F)CCCCC1
InChIInChI=1S/C17H25FN2OS/c1-20(2)17(10-6-3-7-11-17)13-19-16(21)12-22-15-9-5-4-8-14(15)18/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyFDZBETBYCUVYAO-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.30
Rot. Bonds6

About N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 4780456) has the molecular formula C17H25FN2OS and a molecular weight of 324.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID4780456
Molecular FormulaC17H25FN2OS
Molecular Weight324.46 g/mol
Exact Mass324.17
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCN(C)C1(CNC(=O)CSc2ccccc2F)CCCCC1
InChIInChI=1S/C17H25FN2OS/c1-20(2)17(10-6-3-7-11-17)13-19-16(21)12-22-15-9-5-4-8-14(15)18/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyFDZBETBYCUVYAO-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4449807
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-Phenethyl-2-phenylsulfanyl-acetamide
CID 846686
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]acetamide
CID 2175467
N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2526390
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]propanamide
CID 2947047
2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 891225
N-[2-(4-fluorophenyl)ethyl]-2-(phenylthio)acetamide
CID 1122115
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 1244968
N-(3-phenylpropyl)-2-(phenylthio)acetamide
CID 2098867

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 4780456) is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide is CN(C)C1(CNC(=O)CSc2ccccc2F)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is FDZBETBYCUVYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OS/c1-20(2)17(10-6-3-7-11-17)13-19-16(21)12-22-15-9-5-4-8-14(15)18/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 324.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 4780456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).