2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

C20H16F3NOS — CID 2728108

IUPAC2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NOS/c21-20(22,23)16-8-10-17(11-9-16)24-19(25)13-26-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,24,25)
InChIKeyUDTFFJWTVNTOGR-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.73
Rot. Bonds5

About 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2728108) has the molecular formula C20H16F3NOS and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID2728108
Molecular FormulaC20H16F3NOS
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NOS/c21-20(22,23)16-8-10-17(11-9-16)24-19(25)13-26-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,24,25)
InChIKeyUDTFFJWTVNTOGR-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 2728108) is 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSCc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UDTFFJWTVNTOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NOS/c21-20(22,23)16-8-10-17(11-9-16)24-19(25)13-26-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,24,25).
What are the key properties of 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 375.42 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2728108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).