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

C16H23NO2S — CID 7992638

IUPACN-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H23NO2S/c1-19-14-8-10-15(11-9-14)20-12-16(18)17-13-6-4-2-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,17,18)
InChIKeyVLQNFUXYCCNDFE-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.63
Rot. Bonds5

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

N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 7992638) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID7992638
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C16H23NO2S/c1-19-14-8-10-15(11-9-14)20-12-16(18)17-13-6-4-2-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,17,18)
InChIKeyVLQNFUXYCCNDFE-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119459341
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119612327
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067091
N-cycloheptyl-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7898049
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide (CID 7992638) is N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is VLQNFUXYCCNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-19-14-8-10-15(11-9-14)20-12-16(18)17-13-6-4-2-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,17,18).
What are the key properties of N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide?
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 293.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 7992638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).