N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide

C13H16F3NOS — CID 78786742

IUPACN-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESCCCNC(=O)CSCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NOS/c1-2-6-17-12(18)9-19-8-10-4-3-5-11(7-10)13(14,15)16/h3-5,7H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyVYKDXIHAJRPXDF-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.46
Rot. Bonds6

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

N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 78786742) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
PubChem CID78786742
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC NameN-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESCCCNC(=O)CSCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NOS/c1-2-6-17-12(18)9-19-8-10-4-3-5-11(7-10)13(14,15)16/h3-5,7H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyVYKDXIHAJRPXDF-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100648412
2-[(3-bromophenyl)methylsulfanyl]-N-butylacetamide
CID 84603000
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330378
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propylsulfanylacetamide
CID 111108741
2-[(3-methylphenyl)methylsulfanyl]-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86929058
tert-butyl N-[2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylethyl]carbamate
CID 84557459
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
CID 2742043
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-[3-(methylamino)propyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119432009

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The IUPAC name of N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (CID 78786742) is N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is CCCNC(=O)CSCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is VYKDXIHAJRPXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-2-6-17-12(18)9-19-8-10-4-3-5-11(7-10)13(14,15)16/h3-5,7H,2,6,8-9H2,1H3,(H,17,18).
What are the key properties of N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 291.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 78786742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).