N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide

C15H21NOS — CID 846420

IUPACN-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H21NOS/c1-12-7-9-14(10-8-12)18-11-15(17)16-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
InChIKeyYIPIGUILXICGAU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.54
Rot. Bonds4

About N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide

N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 846420) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
PubChem CID846420
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H21NOS/c1-12-7-9-14(10-8-12)18-11-15(17)16-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
InChIKeyYIPIGUILXICGAU-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 63042737
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 974703
N-[(S)-cyano(cyclohexyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 95788643
N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119609155
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 6407540

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide (CID 846420) is N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is YIPIGUILXICGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-7-9-14(10-8-12)18-11-15(17)16-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17).
What are the key properties of N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide?
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 263.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 846420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).