4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

C17H24FNOS — CID 107034256

IUPAC4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(F)c(S)c2)CC(C)(C)C1
InChIInChI=1S/C17H24FNOS/c1-16(2)8-12(9-17(3,4)10-16)19-15(20)11-5-6-13(18)14(21)7-11/h5-7,12,21H,8-10H2,1-4H3,(H,19,20)
InChIKeyMYWAXVQJLYSCLK-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.45
Rot. Bonds2

About 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 107034256) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID107034256
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(F)c(S)c2)CC(C)(C)C1
InChIInChI=1S/C17H24FNOS/c1-16(2)8-12(9-17(3,4)10-16)19-15(20)11-5-6-13(18)14(21)7-11/h5-7,12,21H,8-10H2,1-4H3,(H,19,20)
InChIKeyMYWAXVQJLYSCLK-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107676803
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966079
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021
3-fluoro-4-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoic acid
CID 103968357
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluoro-3-sulfanylbenzamide
CID 107033170
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965099

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 107034256) is 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is CC1(C)CC(NC(=O)c2ccc(F)c(S)c2)CC(C)(C)C1.
What is the InChIKey of 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is MYWAXVQJLYSCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c1-16(2)8-12(9-17(3,4)10-16)19-15(20)11-5-6-13(18)14(21)7-11/h5-7,12,21H,8-10H2,1-4H3,(H,19,20).
What are the key properties of 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide has a molecular weight of 309.45 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 107034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).