2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide

C16H20F3NOS — CID 162656297

IUPAC2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide
SMILESNC(=O)C(SCCc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C16H20F3NOS/c17-16(18,19)13-7-3-4-11(10-13)8-9-22-14(15(20)21)12-5-1-2-6-12/h3-4,7,10,12,14H,1-2,5-6,8-9H2,(H2,20,21)
InChIKeyXJUBSNXDDPXBTH-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.03
Rot. Bonds6

About 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide

2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide (PubChem CID 162656297) has the molecular formula C16H20F3NOS and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide
PubChem CID162656297
Molecular FormulaC16H20F3NOS
Molecular Weight331.40 g/mol
Exact Mass331.12
IUPAC Name2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide
SMILESNC(=O)C(SCCc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C16H20F3NOS/c17-16(18,19)13-7-3-4-11(10-13)8-9-22-14(15(20)21)12-5-1-2-6-12/h3-4,7,10,12,14H,1-2,5-6,8-9H2,(H2,20,21)
InChIKeyXJUBSNXDDPXBTH-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide (CID 162656297) is 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide is NC(=O)C(SCCc1cccc(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide?
The InChIKey is XJUBSNXDDPXBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NOS/c17-16(18,19)13-7-3-4-11(10-13)8-9-22-14(15(20)21)12-5-1-2-6-12/h3-4,7,10,12,14H,1-2,5-6,8-9H2,(H2,20,21).
What are the key properties of 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide?
2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-[3-(trifluoromethyl)phenyl]ethylsulfanyl]acetamide is sourced from PubChem (CID 162656297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).