N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide

C14H18F3N3O4S — CID 2725780

IUPACN-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H18F3N3O4S/c15-14(16,17)11-1-3-12(4-2-11)25(22,23)19-6-5-18-13(21)20-7-9-24-10-8-20/h1-4,19H,5-10H2,(H,18,21)
InChIKeyVXHXTPNIWATDGR-UHFFFAOYSA-N
MW381.38 g/mol
LogP1.03
Rot. Bonds5

About N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide

N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide (PubChem CID 2725780) has the molecular formula C14H18F3N3O4S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide
PubChem CID2725780
Molecular FormulaC14H18F3N3O4S
Molecular Weight381.38 g/mol
Exact Mass381.10
IUPAC NameN-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H18F3N3O4S/c15-14(16,17)11-1-3-12(4-2-11)25(22,23)19-6-5-18-13(21)20-7-9-24-10-8-20/h1-4,19H,5-10H2,(H,18,21)
InChIKeyVXHXTPNIWATDGR-UHFFFAOYSA-N
XLogP1.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
2-Morpholin-4-yl-N-[2-(toluene-4-sulfonylamino)-ethyl]-acetamide
CID 3157916
N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 4540124
4-Methyl-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 801290
(5-Methyl-3-{[3-(trifluoromethyl)phenyl]sulfonyl}imidazolidin-1-yl)(morpholin-4-yl)methanone
CID 6498823
{2,5-Dimethyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498825
[2-Methyl-3-(3-trifluoromethyl-benzenesulfonyl)-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 6498830
1-[2-[4-[4-(Trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
CID 16287464
N-(2-Morpholin-4-yl-ethyl)-3-trifluoromethyl-benzenesulfonamide
CID 23724447
[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 645069
Morpholine-4-carboxylic acid [2-(toluene-4-sulfonylamino)-ethyl]-amide
CID 650678
N-{2-[(phenylsulfonyl)amino]ethyl}morpholine-4-carboxamide
CID 2059172

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide (CID 2725780) is N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide is O=C(NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide?
The InChIKey is VXHXTPNIWATDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O4S/c15-14(16,17)11-1-3-12(4-2-11)25(22,23)19-6-5-18-13(21)20-7-9-24-10-8-20/h1-4,19H,5-10H2,(H,18,21).
What are the key properties of N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide?
N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 2725780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).