N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide

C12H15F3N2O3S2 — CID 55934103

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCC(NC(=O)CSC(F)(F)F)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H15F3N2O3S2/c1-8(16-11(18)7-21-12(13,14)15)9-5-3-4-6-10(9)17-22(2,19)20/h3-6,8,17H,7H2,1-2H3,(H,16,18)
InChIKeyDKGIWPFJUPSWQS-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.49
Rot. Bonds6

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55934103) has the molecular formula C12H15F3N2O3S2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55934103
Molecular FormulaC12H15F3N2O3S2
Molecular Weight356.39 g/mol
Exact Mass356.05
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCC(NC(=O)CSC(F)(F)F)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H15F3N2O3S2/c1-8(16-11(18)7-21-12(13,14)15)9-5-3-4-6-10(9)17-22(2,19)20/h3-6,8,17H,7H2,1-2H3,(H,16,18)
InChIKeyDKGIWPFJUPSWQS-UHFFFAOYSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
CID 94062624
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
N-[2-[1-[2-(methanesulfonamido)phenyl]ethylamino]-2-oxoethyl]-4-methoxybenzamide
CID 55932572
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
CID 56553112
3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 60544467
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide;hydrochloride
CID 119732344
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55699860
(2R)-2-[2-(methanesulfonamido)phenyl]propanamide
CID 66860798
1-(2-cyano-4-fluorophenyl)-3-[1-[2-(methanesulfonamido)phenyl]ethyl]urea
CID 78896037

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide (CID 55934103) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide is CC(NC(=O)CSC(F)(F)F)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is DKGIWPFJUPSWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S2/c1-8(16-11(18)7-21-12(13,14)15)9-5-3-4-6-10(9)17-22(2,19)20/h3-6,8,17H,7H2,1-2H3,(H,16,18).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 356.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55934103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).