(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide

C16H22FNOS — CID 7553892

IUPAC(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22FNOS/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h7-12,15H,3-6H2,1-2H3,(H,18,19)/t11-,12+,15+/m0/s1
InChIKeyWJIJGXAOEZRFEA-YWPYICTPSA-N
MW295.42 g/mol
LogP4.00
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide

(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 7553892) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID7553892
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22FNOS/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h7-12,15H,3-6H2,1-2H3,(H,18,19)/t11-,12+,15+/m0/s1
InChIKeyWJIJGXAOEZRFEA-YWPYICTPSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 100846391
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916
[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 124772162
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8613214
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 99845157
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 129420773
(2R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7633221
(2R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7633225
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11909705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 7553892) is (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide is C[C@@H](Sc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is WJIJGXAOEZRFEA-YWPYICTPSA-N. The full InChI is InChI=1S/C16H22FNOS/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h7-12,15H,3-6H2,1-2H3,(H,18,19)/t11-,12+,15+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
(2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 295.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 7553892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).