3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide

C16H22FNO2S — CID 64928091

IUPAC3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCSc1ccccc1F)NCC1CCCCC1O
InChIInChI=1S/C16H22FNO2S/c17-13-6-2-4-8-15(13)21-10-9-16(20)18-11-12-5-1-3-7-14(12)19/h2,4,6,8,12,14,19H,1,3,5,7,9-11H2,(H,18,20)
InChIKeyDBQVXCFHRFPNDZ-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.98
Rot. Bonds6

About 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64928091) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide
PubChem CID64928091
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCSc1ccccc1F)NCC1CCCCC1O
InChIInChI=1S/C16H22FNO2S/c17-13-6-2-4-8-15(13)21-10-9-16(20)18-11-12-5-1-3-7-14(12)19/h2,4,6,8,12,14,19H,1,3,5,7,9-11H2,(H,18,20)
InChIKeyDBQVXCFHRFPNDZ-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-(4-hydroxycyclohexyl)-2-(2-methylphenyl)sulfanylacetamide
CID 43389266
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 52992685
2-[(4-fluorophenyl)sulfanyl]-N-(3-hydroxycyclohexyl)acetamide
CID 71786217
2-((4-fluorophenyl)thio)-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787594
N-(2-cyclohexyl-2-hydroxyethyl)-3-(phenylsulfonyl)propanamide
CID 56764312
N-(3-hydroxy-4,4-dimethylpentyl)-3-(phenylthio)propanamide
CID 71787593
N-[(S)-3-cyclopropyl-3-hydroxypropyl]3-(phenylthio)propionamide
CID 96349889
N-[(S)-3-hydroxy-3-(tetrahydro-4H-pyran-4-yl)propyl]3-(phenylsulfonyl)propionamide
CID 99996763
N-(2-cyclohexyl-2-hydroxyethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71782115
2,2,2-trifluoro-N-[3-hydroxy-3-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]propyl]acetamide
CID 87519319
N-[3-[3-(cyclohexylmethylsulfanyl)phenyl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 89079255
N-[(3R)-3-[3-(cyclohexylmethylsulfanyl)phenyl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 89079257

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide (CID 64928091) is 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide is O=C(CCSc1ccccc1F)NCC1CCCCC1O.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is DBQVXCFHRFPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c17-13-6-2-4-8-15(13)21-10-9-16(20)18-11-12-5-1-3-7-14(12)19/h2,4,6,8,12,14,19H,1,3,5,7,9-11H2,(H,18,20).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 311.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64928091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).