N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide

C14H19F3N2O3S — CID 113155453

IUPACN-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
SMILESCCCCNC(=O)CN(c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-3-4-9-18-13(20)10-19(23(2,21)22)12-8-6-5-7-11(12)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyFYWLYQIULVDZOJ-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.39
Rot. Bonds7

About N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide

N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide (PubChem CID 113155453) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
PubChem CID113155453
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC NameN-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
SMILESCCCCNC(=O)CN(c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-3-4-9-18-13(20)10-19(23(2,21)22)12-8-6-5-7-11(12)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyFYWLYQIULVDZOJ-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
methyl 2-[methylsulfonyl-[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 113155847
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155496
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30219314

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide (CID 113155453) is N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide is CCCCNC(=O)CN(c1ccccc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
The InChIKey is FYWLYQIULVDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-3-4-9-18-13(20)10-19(23(2,21)22)12-8-6-5-7-11(12)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide?
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 113155453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).