N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C19H21F3N2O3S — CID 4780386

IUPACN-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCc1ccccc1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)16-10-4-5-11-17(16)28(26,27)24-14-12-18(25)23-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,24H,6,9,12-14H2,(H,23,25)
InChIKeyJUUHXGJHNNWODF-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.12
Rot. Bonds9

About N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 4780386) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID4780386
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCc1ccccc1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)16-10-4-5-11-17(16)28(26,27)24-14-12-18(25)23-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,24H,6,9,12-14H2,(H,23,25)
InChIKeyJUUHXGJHNNWODF-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 4780386) is N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is JUUHXGJHNNWODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c20-19(21,22)16-10-4-5-11-17(16)28(26,27)24-14-12-18(25)23-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,24H,6,9,12-14H2,(H,23,25).
What are the key properties of N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 414.45 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 4780386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).