N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C20H23F3N2O3S — CID 25162734

IUPACN-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-15(11-12-16-7-3-2-4-8-16)25-19(26)13-14-24-29(27,28)18-10-6-5-9-17(18)20(21,22)23/h2-10,15,24H,11-14H2,1H3,(H,25,26)
InChIKeyHNHRUPKYEVPADF-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.51
Rot. Bonds9

About N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 25162734) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID25162734
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-15(11-12-16-7-3-2-4-8-16)25-19(26)13-14-24-29(27,28)18-10-6-5-9-17(18)20(21,22)23/h2-10,15,24H,11-14H2,1H3,(H,25,26)
InChIKeyHNHRUPKYEVPADF-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 25162734) is N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is HNHRUPKYEVPADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-15(11-12-16-7-3-2-4-8-16)25-19(26)13-14-24-29(27,28)18-10-6-5-9-17(18)20(21,22)23/h2-10,15,24H,11-14H2,1H3,(H,25,26).
What are the key properties of N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 428.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 25162734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).