2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide

C15H19ClFNOS — CID 967744

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H19ClFNOS/c16-13-7-4-8-14(17)12(13)9-20-10-15(19)18-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyLAMDASDJESDJPB-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.16
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide (PubChem CID 967744) has the molecular formula C15H19ClFNOS and a molecular weight of 315.84 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
PubChem CID967744
Molecular FormulaC15H19ClFNOS
Molecular Weight315.84 g/mol
Exact Mass315.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H19ClFNOS/c16-13-7-4-8-14(17)12(13)9-20-10-15(19)18-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyLAMDASDJESDJPB-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 2823473
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 7030009
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132628528
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133198501
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
(2R)-2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100517182
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-piperidin-1-ylethanone
CID 838643
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
N-cyclopentyl-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309803
(2S)-2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100601923
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177579

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide (CID 967744) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide is O=C(CSCc1c(F)cccc1Cl)NC1CCCCC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
The InChIKey is LAMDASDJESDJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNOS/c16-13-7-4-8-14(17)12(13)9-20-10-15(19)18-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide has a molecular weight of 315.84 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 967744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).