2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide

C16H20F3NOS — CID 162643692

IUPAC2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C16H20F3NOS/c17-16(18,19)13-8-4-5-11(9-13)10-22-14(15(20)21)12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H2,20,21)
InChIKeyKLSAPBIHSLXFIK-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.37
Rot. Bonds5

About 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide

2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 162643692) has the molecular formula C16H20F3NOS and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
PubChem CID162643692
Molecular FormulaC16H20F3NOS
Molecular Weight331.40 g/mol
Exact Mass331.12
IUPAC Name2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C16H20F3NOS/c17-16(18,19)13-8-4-5-11(9-13)10-22-14(15(20)21)12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H2,20,21)
InChIKeyKLSAPBIHSLXFIK-UHFFFAOYSA-N
XLogP4.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The IUPAC name of 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (CID 162643692) is 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is NC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is KLSAPBIHSLXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NOS/c17-16(18,19)13-8-4-5-11(9-13)10-22-14(15(20)21)12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2,(H2,20,21).
What are the key properties of 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 162643692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).