2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide

C15H21NO2S — CID 734045

IUPAC2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC2CCCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,16,17)
InChIKeyWHZXECRZNJDUML-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.70
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide

2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 734045) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID734045
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC2CCCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,16,17)
InChIKeyWHZXECRZNJDUML-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide (CID 734045) is 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSC2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is WHZXECRZNJDUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide?
2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 734045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).