4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide

C15H20FNOS — CID 107024734

IUPAC4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
SMILESCC1CCCC(N(C)C(=O)c2ccc(F)c(S)c2)C1
InChIInChI=1S/C15H20FNOS/c1-10-4-3-5-12(8-10)17(2)15(18)11-6-7-13(16)14(19)9-11/h6-7,9-10,12,19H,3-5,8H2,1-2H3
InChIKeyNRORSLXLLZWDKH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.77
Rot. Bonds2

About 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide

4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide (PubChem CID 107024734) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
PubChem CID107024734
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
SMILESCC1CCCC(N(C)C(=O)c2ccc(F)c(S)c2)C1
InChIInChI=1S/C15H20FNOS/c1-10-4-3-5-12(8-10)17(2)15(18)11-6-7-13(16)14(19)9-11/h6-7,9-10,12,19H,3-5,8H2,1-2H3
InChIKeyNRORSLXLLZWDKH-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N,3-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 63213240
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
CID 107026520
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride
CID 119717318
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
4-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 62179470
3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 115645768
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 62661130
1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 61446211

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide (CID 107024734) is 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide is CC1CCCC(N(C)C(=O)c2ccc(F)c(S)c2)C1.
What is the InChIKey of 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide?
The InChIKey is NRORSLXLLZWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-10-4-3-5-12(8-10)17(2)15(18)11-6-7-13(16)14(19)9-11/h6-7,9-10,12,19H,3-5,8H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide?
4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107024734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).