2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide

C18H26F3N3O4S — CID 42869384

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCCN2CCOCC2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H26F3N3O4S/c1-23-17(14-3-5-15(6-4-14)18(19,20)21)16(13-28-23)29(25,26)22-7-2-8-24-9-11-27-12-10-24/h3-6,16-17,22H,2,7-13H2,1H3
InChIKeyYBQVFDAMLXXIHL-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.63
Rot. Bonds7

About 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide

2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869384) has the molecular formula C18H26F3N3O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID42869384
Molecular FormulaC18H26F3N3O4S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCCCN2CCOCC2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H26F3N3O4S/c1-23-17(14-3-5-15(6-4-14)18(19,20)21)16(13-28-23)29(25,26)22-7-2-8-24-9-11-27-12-10-24/h3-6,16-17,22H,2,7-13H2,1H3
InChIKeyYBQVFDAMLXXIHL-UHFFFAOYSA-N
XLogP1.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (CID 42869384) is 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCCCN2CCOCC2)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is YBQVFDAMLXXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O4S/c1-23-17(14-3-5-15(6-4-14)18(19,20)21)16(13-28-23)29(25,26)22-7-2-8-24-9-11-27-12-10-24/h3-6,16-17,22H,2,7-13H2,1H3.
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 437.48 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).