N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide

C20H23F3N2O5S — CID 3244186

IUPACN-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H23F3N2O5S/c21-20(22,23)15-3-1-4-17(13-15)31(27,28)14-16-5-6-18(30-16)19(26)24-7-2-8-25-9-11-29-12-10-25/h1,3-6,13H,2,7-12,14H2,(H,24,26)
InChIKeyLOGZYAQWRSCUDZ-UHFFFAOYSA-N
MW460.47 g/mol
LogP2.72
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide

N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide (PubChem CID 3244186) has the molecular formula C20H23F3N2O5S and a molecular weight of 460.47 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
PubChem CID3244186
Molecular FormulaC20H23F3N2O5S
Molecular Weight460.47 g/mol
Exact Mass460.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H23F3N2O5S/c21-20(22,23)15-3-1-4-17(13-15)31(27,28)14-16-5-6-18(30-16)19(26)24-7-2-8-25-9-11-29-12-10-25/h1,3-6,13H,2,7-12,14H2,(H,24,26)
InChIKeyLOGZYAQWRSCUDZ-UHFFFAOYSA-N
XLogP2.72
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 20859726
N-[2-(3,4-diethoxyphenyl)ethyl]-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 20859736
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 3273528
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
N-(4-morpholin-4-ylbutyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 47889696
5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 131896298
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 5309150
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 4274569
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 30125791

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide (CID 3244186) is N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide is O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
The InChIKey is LOGZYAQWRSCUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5S/c21-20(22,23)15-3-1-4-17(13-15)31(27,28)14-16-5-6-18(30-16)19(26)24-7-2-8-25-9-11-29-12-10-25/h1,3-6,13H,2,7-12,14H2,(H,24,26).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide has a molecular weight of 460.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3244186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).