N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide

C12H15F3N2O3S — CID 113061531

IUPACN-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-9(18)17(8-7-16-21(2,19)20)11-5-3-10(4-6-11)12(13,14)15/h3-6,16H,7-8H2,1-2H3
InChIKeyYQXKCTJMCHIYNF-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide

N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113061531) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113061531
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-9(18)17(8-7-16-21(2,19)20)11-5-3-10(4-6-11)12(13,14)15/h3-6,16H,7-8H2,1-2H3
InChIKeyYQXKCTJMCHIYNF-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113061694
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
CID 113070952
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 113061531) is N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CCNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YQXKCTJMCHIYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-9(18)17(8-7-16-21(2,19)20)11-5-3-10(4-6-11)12(13,14)15/h3-6,16H,7-8H2,1-2H3.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 324.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113061531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).