N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide

C14H18FNOS — CID 107020889

IUPACN-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
SMILESCN(C(=O)c1ccc(F)c(S)c1)C1CCCCC1
InChIInChI=1S/C14H18FNOS/c1-16(11-5-3-2-4-6-11)14(17)10-7-8-12(15)13(18)9-10/h7-9,11,18H,2-6H2,1H3
InChIKeyDLSONIDWTXOJFF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.52
Rot. Bonds2

About N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide

N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide (PubChem CID 107020889) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
PubChem CID107020889
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
SMILESCN(C(=O)c1ccc(F)c(S)c1)C1CCCCC1
InChIInChI=1S/C14H18FNOS/c1-16(11-5-3-2-4-6-11)14(17)10-7-8-12(15)13(18)9-10/h7-9,11,18H,2-6H2,1H3
InChIKeyDLSONIDWTXOJFF-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.52
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-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
CID 107024734
4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
CID 107026520
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide?
The IUPAC name of N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide (CID 107020889) is N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide is CN(C(=O)c1ccc(F)c(S)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide?
The InChIKey is DLSONIDWTXOJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-16(11-5-3-2-4-6-11)14(17)10-7-8-12(15)13(18)9-10/h7-9,11,18H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide?
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide is sourced from PubChem (CID 107020889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).