N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide

C23H20F3NO4S2 — CID 160708004

IUPACN-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NC2COC2)ccc1-c1ccsc1
InChIInChI=1S/C23H20F3NO4S2/c24-23(25,26)18-3-1-2-15(8-18)9-20(28)10-17-11-21(33(29,30)27-19-12-31-13-19)4-5-22(17)16-6-7-32-14-16/h1-8,11,14,19,27H,9-10,12-13H2
InChIKeyRRMFWUNVGNVMEJ-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.47
Rot. Bonds8

About N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide

N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide (PubChem CID 160708004) has the molecular formula C23H20F3NO4S2 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
PubChem CID160708004
Molecular FormulaC23H20F3NO4S2
Molecular Weight495.54 g/mol
Exact Mass495.08
IUPAC NameN-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NC2COC2)ccc1-c1ccsc1
InChIInChI=1S/C23H20F3NO4S2/c24-23(25,26)18-3-1-2-15(8-18)9-20(28)10-17-11-21(33(29,30)27-19-12-31-13-19)4-5-22(17)16-6-7-32-14-16/h1-8,11,14,19,27H,9-10,12-13H2
InChIKeyRRMFWUNVGNVMEJ-UHFFFAOYSA-N
XLogP4.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 158395011
N-ethoxy-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 159347975
4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
CID 158322174
1-[2-(3-cyclobutylphenyl)-5-(oxetan-3-ylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 147271864
1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101439
3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 158141798
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate
CID 161130174
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 37038345

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide (CID 160708004) is N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide is O=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NC2COC2)ccc1-c1ccsc1.
What is the InChIKey of N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
The InChIKey is RRMFWUNVGNVMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4S2/c24-23(25,26)18-3-1-2-15(8-18)9-20(28)10-17-11-21(33(29,30)27-19-12-31-13-19)4-5-22(17)16-6-7-32-14-16/h1-8,11,14,19,27H,9-10,12-13H2.
What are the key properties of N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide has a molecular weight of 495.54 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 160708004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).