4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide

C23H26F3N3O3S — CID 142824899

IUPAC4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)N2CCN(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)CCOCC1
InChIInChI=1S/C23H26F3N3O3S/c24-23(25,26)19-5-1-17(2-6-19)18-3-7-20(8-4-18)28-11-13-29(14-12-28)33(31)22(21(27)30)9-15-32-16-10-22/h1-8H,9-16H2,(H2,27,30)
InChIKeyCRRPTOMHPOFNEF-UHFFFAOYSA-N
MW481.54 g/mol
LogP3.19
Rot. Bonds5

About 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide

4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide (PubChem CID 142824899) has the molecular formula C23H26F3N3O3S and a molecular weight of 481.54 g/mol. Its IUPAC name is 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide
PubChem CID142824899
Molecular FormulaC23H26F3N3O3S
Molecular Weight481.54 g/mol
Exact Mass481.16
IUPAC Name4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)N2CCN(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)CCOCC1
InChIInChI=1S/C23H26F3N3O3S/c24-23(25,26)19-5-1-17(2-6-19)18-3-7-20(8-4-18)28-11-13-29(14-12-28)33(31)22(21(27)30)9-15-32-16-10-22/h1-8H,9-16H2,(H2,27,30)
InChIKeyCRRPTOMHPOFNEF-UHFFFAOYSA-N
XLogP3.19
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-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

4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide
CID 142824885
4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide
CID 142824990
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 75431410
1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
CID 46173579
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
2,2,3,3,4,4,4-heptafluoro-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 91745165
2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 175289276
4-[1-[4-(4-butan-2-yl-3-methylphenyl)piperazin-1-yl]ethyl]oxane-4-carboxamide
CID 142825209
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide?
The IUPAC name of 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide (CID 142824899) is 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide is NC(=O)C1(S(=O)N2CCN(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)CCOCC1.
What is the InChIKey of 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide?
The InChIKey is CRRPTOMHPOFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3S/c24-23(25,26)19-5-1-17(2-6-19)18-3-7-20(8-4-18)28-11-13-29(14-12-28)33(31)22(21(27)30)9-15-32-16-10-22/h1-8H,9-16H2,(H2,27,30).
What are the key properties of 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide?
4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide has a molecular weight of 481.54 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide is sourced from PubChem (CID 142824899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).