N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide

C17H25F3N2O3S — CID 58663105

IUPACN-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1NCC
InChIInChI=1S/C17H25F3N2O3S/c1-4-7-12(8-5-2)16(23)22-14-10-9-13(11-15(14)21-6-3)26(24,25)17(18,19)20/h9-12,21H,4-8H2,1-3H3,(H,22,23)
InChIKeyGERGJTTZFPFZBU-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.57
Rot. Bonds9

About N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide

N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide (PubChem CID 58663105) has the molecular formula C17H25F3N2O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide
PubChem CID58663105
Molecular FormulaC17H25F3N2O3S
Molecular Weight394.46 g/mol
Exact Mass394.15
IUPAC NameN-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1NCC
InChIInChI=1S/C17H25F3N2O3S/c1-4-7-12(8-5-2)16(23)22-14-10-9-13(11-15(14)21-6-3)26(24,25)17(18,19)20/h9-12,21H,4-8H2,1-3H3,(H,22,23)
InChIKeyGERGJTTZFPFZBU-UHFFFAOYSA-N
XLogP4.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide?
The IUPAC name of N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide (CID 58663105) is N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide.
What is the SMILES notation for N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide?
The canonical SMILES for N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1NCC.
What is the InChIKey of N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide?
The InChIKey is GERGJTTZFPFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3S/c1-4-7-12(8-5-2)16(23)22-14-10-9-13(11-15(14)21-6-3)26(24,25)17(18,19)20/h9-12,21H,4-8H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide?
N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide has a molecular weight of 394.46 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-4-(trifluoromethylsulfonyl)phenyl]-2-propylpentanamide is sourced from PubChem (CID 58663105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).