N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C20H23F3N2O3S — CID 46533772

IUPACN-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCCCN(Cc1ccccc1)C(=O)C(C)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-3-13-25(14-16-9-5-4-6-10-16)19(26)15(2)24-29(27,28)18-12-8-7-11-17(18)20(21,22)23/h4-12,15,24H,3,13-14H2,1-2H3
InChIKeyKELJRQCSFKISBL-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.81
Rot. Bonds8

About N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 46533772) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID46533772
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCCCN(Cc1ccccc1)C(=O)C(C)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-3-13-25(14-16-9-5-4-6-10-16)19(26)15(2)24-29(27,28)18-12-8-7-11-17(18)20(21,22)23/h4-12,15,24H,3,13-14H2,1-2H3
InChIKeyKELJRQCSFKISBL-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 46533772) is N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CCCN(Cc1ccccc1)C(=O)C(C)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is KELJRQCSFKISBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-3-13-25(14-16-9-5-4-6-10-16)19(26)15(2)24-29(27,28)18-12-8-7-11-17(18)20(21,22)23/h4-12,15,24H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 428.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 46533772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).