N-cyclohexyl-4-methylsulfanylbenzamide

C14H19NOS — CID 60645846

IUPACN-cyclohexyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19NOS/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyAXOAXNPSTDVAFR-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.47
Rot. Bonds3

About N-cyclohexyl-4-methylsulfanylbenzamide

N-cyclohexyl-4-methylsulfanylbenzamide (PubChem CID 60645846) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-cyclohexyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methylsulfanylbenzamide
PubChem CID60645846
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-cyclohexyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19NOS/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)
InChIKeyAXOAXNPSTDVAFR-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189674
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 86828685
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
N-cyclobutyl-4-methylbenzamide
CID 23530676

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylsulfanylbenzamide?
The IUPAC name of N-cyclohexyl-4-methylsulfanylbenzamide (CID 60645846) is N-cyclohexyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-cyclohexyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methylsulfanylbenzamide?
The InChIKey is AXOAXNPSTDVAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16).
What are the key properties of N-cyclohexyl-4-methylsulfanylbenzamide?
N-cyclohexyl-4-methylsulfanylbenzamide has a molecular weight of 249.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 60645846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).