2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide

C15H19F3N2O4S — CID 75395265

IUPAC2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4S/c1-14(2,3)13(22)19-9-8-12(21)20-10-4-6-11(7-5-10)25(23,24)15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyYBHSYVVGJBIJOI-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.47
Rot. Bonds5

About 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide

2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide (PubChem CID 75395265) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide
PubChem CID75395265
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4S/c1-14(2,3)13(22)19-9-8-12(21)20-10-4-6-11(7-5-10)25(23,24)15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyYBHSYVVGJBIJOI-UHFFFAOYSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33163919
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205419
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
N-[3-[4-(2,5-dimethylphenyl)sulfanylanilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 22830955
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide (CID 75395265) is 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide is CC(C)(C)C(=O)NCCC(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide?
The InChIKey is YBHSYVVGJBIJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-14(2,3)13(22)19-9-8-12(21)20-10-4-6-11(7-5-10)25(23,24)15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide?
2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide has a molecular weight of 380.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide is sourced from PubChem (CID 75395265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).