N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide

C14H18FNOS — CID 22956373

IUPACN-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(F)ccc2S)CCCCC1
InChIInChI=1S/C14H18FNOS/c1-14(7-3-2-4-8-14)13(17)16-11-9-10(15)5-6-12(11)18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyVYEZDYXOWKTKJM-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.02
Rot. Bonds2

About N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide

N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 22956373) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID22956373
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(F)ccc2S)CCCCC1
InChIInChI=1S/C14H18FNOS/c1-14(7-3-2-4-8-14)13(17)16-11-9-10(15)5-6-12(11)18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyVYEZDYXOWKTKJM-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.02
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

1-methyl-N-[2-sulfanyl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 173043060
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828189
N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 106829495
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
4-fluoro-3-[(1-methylcyclobutanecarbonyl)amino]benzoic acid
CID 120530218
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide (CID 22956373) is N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2cc(F)ccc2S)CCCCC1.
What is the InChIKey of N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is VYEZDYXOWKTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-14(7-3-2-4-8-14)13(17)16-11-9-10(15)5-6-12(11)18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 22956373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).