N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H11F5N2OS — CID 78914909

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C11H11F5N2OS/c12-10(13)20-8-3-1-7(2-4-8)18-9(19)5-17-6-11(14,15)16/h1-4,10,17H,5-6H2,(H,18,19)
InChIKeyVMDCOPMGLXBPRD-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.09
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914909) has the molecular formula C11H11F5N2OS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914909
Molecular FormulaC11H11F5N2OS
Molecular Weight314.28 g/mol
Exact Mass314.05
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C11H11F5N2OS/c12-10(13)20-8-3-1-7(2-4-8)18-9(19)5-17-6-11(14,15)16/h1-4,10,17H,5-6H2,(H,18,19)
InChIKeyVMDCOPMGLXBPRD-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119669013
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957889
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
CID 9099106
N-phenyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169332
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 112759116
N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55346201
2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9098703
2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 26908550
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914909) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VMDCOPMGLXBPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2OS/c12-10(13)20-8-3-1-7(2-4-8)18-9(19)5-17-6-11(14,15)16/h1-4,10,17H,5-6H2,(H,18,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 314.28 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).