N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide

C15H21NO3S — CID 17472289

IUPACN-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-19-13-6-8-14(9-7-13)20-10-15(18)16-11-2-4-12(17)5-3-11/h6-9,11-12,17H,2-5,10H2,1H3,(H,16,18)
InChIKeyVKQVNCSNPMESOL-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.21
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 17472289) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID17472289
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-19-13-6-8-14(9-7-13)20-10-15(18)16-11-2-4-12(17)5-3-11/h6-9,11-12,17H,2-5,10H2,1H3,(H,16,18)
InChIKeyVKQVNCSNPMESOL-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119459341
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
2-(4-cyanophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide
CID 110932040
N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119612327
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
methyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 86841431
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119476399

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 17472289) is N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is VKQVNCSNPMESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-19-13-6-8-14(9-7-13)20-10-15(18)16-11-2-4-12(17)5-3-11/h6-9,11-12,17H,2-5,10H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 295.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 17472289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).