N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C12H15F3N2O3S — CID 113061471

IUPACN-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3S/c1-9(18)17(7-6-16-21(2,19)20)11-5-3-4-10(8-11)12(13,14)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyUXQPFLLEHHWPAE-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide

N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113061471) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID113061471
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3S/c1-9(18)17(7-6-16-21(2,19)20)11-5-3-4-10(8-11)12(13,14)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyUXQPFLLEHHWPAE-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-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
CID 113061451
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113061694
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 113061471) is N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CCNS(C)(=O)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UXQPFLLEHHWPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-9(18)17(7-6-16-21(2,19)20)11-5-3-4-10(8-11)12(13,14)15/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-(methanesulfonamido)ethyl]-N-[3-(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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113061471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).