N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide

C20H25F3N2O5S — CID 164862396

IUPACN-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCN(Cc1ccco1)CC1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H25F3N2O5S/c21-20(22,23)30-16-6-8-19(9-7-16)31(26,27)24-10-3-11-25(14-17-4-1-12-28-17)15-18-5-2-13-29-18/h1,4,6-9,12,18,24H,2-3,5,10-11,13-15H2
InChIKeyOGWLHCKCRBQLPI-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.53
Rot. Bonds11

About N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862396) has the molecular formula C20H25F3N2O5S and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862396
Molecular FormulaC20H25F3N2O5S
Molecular Weight462.49 g/mol
Exact Mass462.14
IUPAC NameN-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCN(Cc1ccco1)CC1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H25F3N2O5S/c21-20(22,23)30-16-6-8-19(9-7-16)31(26,27)24-10-3-11-25(14-17-4-1-12-28-17)15-18-5-2-13-29-18/h1,4,6-9,12,18,24H,2-3,5,10-11,13-15H2
InChIKeyOGWLHCKCRBQLPI-UHFFFAOYSA-N
XLogP3.53
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.53
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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Related Compounds

N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 5224121
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 60577749
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3207100
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-(2-fluorophenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 86842664
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 47537442
4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3192388
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053469

Frequently Asked Questions

What is the IUPAC name of N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862396) is N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCCN(Cc1ccco1)CC1CCCO1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OGWLHCKCRBQLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O5S/c21-20(22,23)30-16-6-8-19(9-7-16)31(26,27)24-10-3-11-25(14-17-4-1-12-28-17)15-18-5-2-13-29-18/h1,4,6-9,12,18,24H,2-3,5,10-11,13-15H2.
What are the key properties of N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 462.49 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]propyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).