4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide

C15H20FNOS — CID 107026520

IUPAC4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
SMILESCC1CCCCC1N(C)C(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C15H20FNOS/c1-10-5-3-4-6-13(10)17(2)15(18)11-7-8-12(16)14(19)9-11/h7-10,13,19H,3-6H2,1-2H3
InChIKeyFWGPXWUJSAFVAE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.77
Rot. Bonds2

About 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide

4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide (PubChem CID 107026520) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
PubChem CID107026520
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
SMILESCC1CCCCC1N(C)C(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C15H20FNOS/c1-10-5-3-4-6-13(10)17(2)15(18)11-7-8-12(16)14(19)9-11/h7-10,13,19H,3-6H2,1-2H3
InChIKeyFWGPXWUJSAFVAE-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

N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
CID 107024734
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 165361669
3,5-dihydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103891881
N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134020401
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60938543
6-bromo-N-methyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 66463517
4-fluoro-2-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103887475
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 76912108
3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 62680515
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide (CID 107026520) is 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide is CC1CCCCC1N(C)C(=O)c1ccc(F)c(S)c1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide?
The InChIKey is FWGPXWUJSAFVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-10-5-3-4-6-13(10)17(2)15(18)11-7-8-12(16)14(19)9-11/h7-10,13,19H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide?
4-fluoro-N-methyl-N-(2-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-(2-methylcyclohexyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107026520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).