N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C17H24F3N3O4S — CID 4540124

IUPACN-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCN1CCOCC1
InChIInChI=1S/C17H24F3N3O4S/c18-17(19,20)14-4-1-2-5-15(14)28(25,26)22-8-6-16(24)21-7-3-9-23-10-12-27-13-11-23/h1-2,4-5,22H,3,6-13H2,(H,21,24)
InChIKeyBBKYIMKWPVTZQD-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.21
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 4540124) has the molecular formula C17H24F3N3O4S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID4540124
Molecular FormulaC17H24F3N3O4S
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCN1CCOCC1
InChIInChI=1S/C17H24F3N3O4S/c18-17(19,20)14-4-1-2-5-15(14)28(25,26)22-8-6-16(24)21-7-3-9-23-10-12-27-13-11-23/h1-2,4-5,22H,3,6-13H2,(H,21,24)
InChIKeyBBKYIMKWPVTZQD-UHFFFAOYSA-N
XLogP1.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 4540124) is N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is BBKYIMKWPVTZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O4S/c18-17(19,20)14-4-1-2-5-15(14)28(25,26)22-8-6-16(24)21-7-3-9-23-10-12-27-13-11-23/h1-2,4-5,22H,3,6-13H2,(H,21,24).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 423.46 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 4540124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).